5IVE
Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile)
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 | 2015-12-12 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 117.104, 62.074, 46.860 |
Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
Resolution | 33.024 - 1.783 |
R-factor | 0.1763 |
Rwork | 0.175 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e6h |
RMSD bond length | 0.006 |
RMSD bond angle | 0.807 |
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] | 33.024 | 1.850 |
High resolution limit [Å] | 1.783 | 1.783 |
Rmerge | 0.118 | 0.766 |
Number of reflections | 30877 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 96.4 | 77.4 |
Redundancy | 3.9 | 2.2 |
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 |