7XUD
Structure of G9a in complex with compound 26a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-07 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.596, 77.451, 66.797 |
Unit cell angles | 90.00, 90.50, 90.00 |
Refinement procedure
Resolution | 28.650 - 1.450 |
R-factor | 0.1615 |
Rwork | 0.161 |
R-free | 0.17690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7xua |
RMSD bond length | 0.006 |
RMSD bond angle | 0.863 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.076 | 0.778 |
Rpim | 0.038 | 0.409 |
Number of reflections | 101819 | 5025 |
<I/σ(I)> | 17.1 | 1.9 |
Completeness [%] | 99.9 | |
Redundancy | 3.8 | |
CC(1/2) | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Bis-Tris propane (pH7.5), 0.2M Sodium Fluoride, 10% Ethylene Glycol, 22% PEG3350 |