3U4S
Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97630 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.819, 150.060, 55.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.281 - 2.150 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.22190 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.119 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.1) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
Rmerge | 0.077 | 0.036 | 0.449 |
Number of reflections | 46669 | ||
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.7 | 98.5 | 98.5 |
Redundancy | 4.8 | 4.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 20% PEG 3350, 0.1M citrate, 2 mM NiCl2, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |