4Y03
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-05-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.680, 58.480, 139.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.140 - 1.940 |
R-factor | 0.2341 |
Rwork | 0.232 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.438 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 23.143 | 23.143 | 2.040 |
High resolution limit [Å] | 1.935 | 6.120 | 1.930 |
Rmerge | 0.071 | 0.039 | 0.743 |
Rmeas | 0.079 | ||
Rpim | 0.034 | 0.020 | 0.339 |
Total number of observations | 116598 | 4455 | 14365 |
Number of reflections | 24168 | ||
<I/σ(I)> | 14.1 | 33.4 | 2 |
Completeness [%] | 92.3 | 97.8 | 73.9 |
Redundancy | 4.8 | 4.8 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | K3(citrate), 20% PEG3350, 10% EtGly |