5EPJ
Crystal Structure of chromodomain of CBX7 in complex with inhibitor UNC3866
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-16 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 40.286, 40.286, 82.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.170 - 1.600 |
R-factor | 0.2382 |
Rwork | 0.237 |
R-free | 0.25990 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.589 |
Data scaling software | Aimless (0.5.8) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.170 | 36.170 | 1.630 |
High resolution limit [Å] | 1.600 | 8.770 | 1.600 |
Rmerge | 0.039 | 0.023 | 0.187 |
Rmeas | 0.040 | 0.025 | 0.196 |
Rpim | 0.011 | 0.008 | 0.056 |
Total number of observations | 117543 | 755 | 5495 |
Number of reflections | 9487 | ||
<I/σ(I)> | 51.8 | 86.3 | 13.8 |
Completeness [%] | 99.9 | 99.8 | 98.2 |
Redundancy | 12.4 | 8.6 | 12.3 |
CC(1/2) | 1.000 | 1.000 | 0.979 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.2 M ammonium formate |