7SZQ
Human P300 complexed with an azaindazole inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2019-02-05 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 43 |
Unit cell lengths | 62.444, 62.444, 103.658 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.150 - 2.800 |
R-factor | 0.1726 |
Rwork | 0.169 |
R-free | 0.23480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pzs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.033 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.063 | 0.835 |
Number of reflections | 9897 | 510 |
<I/σ(I)> | 30.2 | 2.29 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.7 | 7.6 |
CC(1/2) | 1.000 | 0.819 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9.5 | 277 | 30% PEG400, 0.1 M CHES pH 9.5 |