Table 1 Data collection and refinement statistics.
Data collection and processing | |
Data set | FALDH |
X-ray source | SOLEIL/PROXIMA_1 |
Detector | PILATUS 6M |
Wavelength (Å) | 0.97625 |
Temperature (K) | 100 |
Crystal-to-detector distance (mm) | 393.722 |
Oscillation range (degree) | 0.1 |
Total oscillation range (degree) | 100 |
Space group | P 21 21 21 |
Cell dimensions (Å) | 80.137, 98.582, 145.703, 90, 90, 90 |
Resolution limit (Å) | 30–2.1 (2.21–2.1) |
Completeness (%) | 99.7 (99.8) |
No. of observations (overall/unique) | 236606/66111 |
Average redundancy | 3.7 (3.7) |
I/(I) | 10.7 (2.1) |
Rp.i.m. (%) | 3.4% (34.0) |
B-factor from Wilson plot (Å2) | 37.4 |
Refinement statistics | |
Resolution limit (Å) | 30–2.1 |
Number of unique reflections | 66,111 |
Completeness of data (%)* | 97.13 |
Rcryst (%) | 19.96 |
Rfree (%) | 22.26 |
No. of non-H atoms | 7,666 |
Protein | 919 |
Solvent | 320 |
Ramachandran plot (%) favoured/allowed/forbidden | 98.1/1.6/0.2 |
r.m.s.d. from ideal values | |
Bond lengths (Å) | 0.021 |
Bond angles (degree) | 1.872 |
Mean B-factor (Å2) | 43.877 |
