5RB0
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010020a
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 | 57.520, 93.920, 92.910 |
Unit cell angles | 90.00, 107.88, 90.00 |
Refinement procedure
Resolution | 54.800 - 1.950 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24490 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.570 |
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] | 54.740 | 54.740 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.113 | 0.022 | 5.297 |
Rmeas | 0.135 | 0.027 | 6.316 |
Rpim | 0.072 | 0.014 | 3.397 |
Total number of observations | 218901 | 2840 | 8519 |
Number of reflections | 64970 | ||
<I/σ(I)> | 9.1 | 44.3 | 0.2 |
Completeness [%] | 94.8 | 98.7 | 50.5 |
Redundancy | 3.4 | 3.5 | 3.3 |
CC(1/2) | 0.996 | 0.999 |
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 |