7K6F
Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-08-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 80.318, 80.318, 142.357 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.390 - 1.860 |
R-factor | 0.1809 |
Rwork | 0.180 |
R-free | 0.20350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7jjh |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.450 | 47.450 | 1.910 |
High resolution limit [Å] | 1.860 | 8.320 | 1.860 |
Rmerge | 0.142 | 0.041 | 5.079 |
Rmeas | 0.148 | 0.043 | 5.284 |
Rpim | 0.041 | 0.013 | 1.450 |
Total number of observations | 513244 | 5834 | 38248 |
Number of reflections | 39987 | 551 | 2898 |
<I/σ(I)> | 13.6 | 51.5 | 0.6 |
Completeness [%] | 100.0 | 99.5 | 99.9 |
Redundancy | 12.8 | 10.6 | 13.2 |
CC(1/2) | 0.999 | 0.999 | 0.211 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Carboxylic acid (0.02M Sodium formate; 0.02M Ammonium acetate; 0.02M Sodium citrate tribasic dihydrate; 0.02M Potassium sodium tartrate tetrahydrate; 0.02M Sodium oxamate), 0.1M Buffer system 1 pH 6.5 (Imidazole; MES monohydrate), 30% precipitant mix 3 (20% v/v Glycerol; 10% w/v PEG 4000) |