5IW0
Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-11 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.320, 62.741, 46.609 |
Unit cell angles | 90.00, 91.93, 90.00 |
Refinement procedure
Resolution | 32.970 - 1.630 |
R-factor | 0.1588 |
Rwork | 0.157 |
R-free | 0.19180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e6h |
RMSD bond length | 0.005 |
RMSD bond angle | 0.732 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.970 | 1.710 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.112 | 0.630 |
Number of reflections | 40597 | |
<I/σ(I)> | 16.3 | 1.8 |
Completeness [%] | 96.4 | 98.4 |
Redundancy | 6.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 1.2-1.35 M (NH4)2SO4, 0.1 M Tris-HCl (pH 8.6-9.2) 0-20% glycerol 25 mM (Na/K) dibasic/monobasic phosphate |