3PDQ
Crystal structure of JMJD2A complexed with bipyridyl inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 100.770, 149.440, 57.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.469 - 1.989 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ox0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.087 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.6_289) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.549 | 49.813 | 2.100 |
High resolution limit [Å] | 1.989 | 6.290 | 1.990 |
Rmerge | 0.028 | 0.599 | |
Rmeas | 0.031 | 0.653 | |
Rpim | 0.012 | 0.257 | |
Total number of observations | 12148 | 55049 | |
Number of reflections | 60331 | ||
<I/σ(I)> | 13.8 | 33.4 | 3 |
Completeness [%] | 100.0 | 98.9 | 100 |
Redundancy | 6.3 | 5.9 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M Citrate, 4mM NiCl2, 17.5% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |