5RB3
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS039249d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-09-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.040, 93.460, 94.340 |
Unit cell angles | 90.00, 107.86, 90.00 |
Refinement procedure
Resolution | 89.790 - 1.530 |
R-factor | 0.1877 |
Rwork | 0.187 |
R-free | 0.20810 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.011 |
RMSD bond angle | 1.713 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.17) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.790 | 89.790 | 1.570 |
High resolution limit [Å] | 1.530 | 6.840 | 1.530 |
Rmerge | 0.040 | 0.022 | 1.164 |
Rmeas | 0.048 | 0.026 | 1.383 |
Rpim | 0.026 | 0.014 | 0.737 |
Total number of observations | 488301 | 5973 | 36827 |
Number of reflections | 142858 | ||
<I/σ(I)> | 14.8 | 60.1 | 1.1 |
Completeness [%] | 99.2 | 98.8 | 99.6 |
Redundancy | 3.4 | 3.6 | 3.5 |
CC(1/2) | 0.999 | 0.996 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 0.1M bis-tris pH 5.5 21% PEG3350 0.3M magnesium chloride |