5I8G
CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 92.110, 60.060, 54.120 |
Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
Resolution | 31.012 - 1.410 |
R-factor | 0.1899 |
Rwork | 0.189 |
R-free | 0.21050 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.964 |
Data reduction software | HKL-2000 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.670 | 38.670 | 1.450 |
High resolution limit [Å] | 1.410 | 6.310 | 1.410 |
Rmerge | 0.033 | 0.034 | 0.558 |
Number of reflections | 91820 | ||
<I/σ(I)> | 2 | ||
Completeness [%] | 99.6 | 98.2 | 99.4 |
Redundancy | 3.3 | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | containing 0.1 M Bis-Tris pH 8, 0.2 M sodium thiocyanate 19-23% PEG 3350 |