5PH3
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09575a
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 | 71.225, 71.225, 150.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.320 - 1.240 |
R-factor | 0.1335 |
Rwork | 0.132 |
R-free | 0.15750 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4d6r |
RMSD bond length | 0.007 |
RMSD bond angle | 1.210 |
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] | 29.320 | 29.320 | 1.260 |
High resolution limit [Å] | 1.240 | 6.790 | 1.240 |
Rmerge | 0.061 | 0.053 | 0.616 |
Rmeas | 0.064 | 0.056 | 0.721 |
Rpim | 0.018 | 0.016 | 0.366 |
Total number of observations | 1094649 | 8920 | 9493 |
Number of reflections | 100472 | ||
<I/σ(I)> | 21.9 | 50.8 | 1.8 |
Completeness [%] | 91.5 | 98.9 | 53.3 |
Redundancy | 10.9 | 11 | 3.4 |
CC(1/2) | 0.999 | 0.997 | 0.707 |
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 |