Table 1 Hit rates from fragment screens before and after use of PanDDA.

From: A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density

Protein

JMJD2D

BAZ2B

SP100

BRD1

Data sets

226

200

116

292

Resolution range (Å)

1.1–2.6

1.5–2.5

1.3–2.7

1.5–3.6

Identified hits (Human/PanDDA)

2/24

3/9

0/2

29/40

Identified hit rate (%) (Human/PanDDA)

0.9/10 .6

1.5/4.5

0/1.7

9.9/13.7

Identified sites (Human/PanDDA)

1/5

1/1

0/1

1/2

  1. PanDDA, Pan-Data set Density Analysis.
  2. All fragment screens consisted of a single soaked compound per data set. An identified site comprises more than two binding ligands that are not heavily interacting with crystal contacts. Number of hits was determined as number of data sets containing a bound ligand. Hit rate was calculated as percentage of data sets containing bound ligands.
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