5PHH
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09457a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 71.443, 71.443, 150.548 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.410 - 1.604 |
R-factor | 0.1632 |
Rwork | 0.162 |
R-free | 0.19470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4d6r |
RMSD bond length | 0.008 |
RMSD bond angle | 1.203 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | REFMAC |
Refinement software | PHENIX (1.9_1682) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.410 | 29.410 | 1.630 |
High resolution limit [Å] | 1.600 | 8.490 | 1.600 |
Rmerge | 0.069 | 0.026 | 0.925 |
Rmeas | 0.072 | 0.028 | 0.977 |
Rpim | 0.020 | 0.008 | 0.303 |
Total number of observations | 663902 | 4915 | 24503 |
Number of reflections | 51884 | ||
<I/σ(I)> | 27.8 | 105.6 | 2.8 |
Completeness [%] | 99.8 | 97.8 | 96.3 |
Redundancy | 12.8 | 11.3 | 9.4 |
CC(1/2) | 1.000 | 0.999 | 0.753 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 28% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate |