5RAF
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001559a
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 | 57.800, 93.700, 93.250 |
Unit cell angles | 90.00, 107.84, 90.00 |
Refinement procedure
Resolution | 64.520 - 1.620 |
R-factor | 0.1854 |
Rwork | 0.184 |
R-free | 0.21190 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.686 |
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] | 64.440 | 64.440 | 1.660 |
High resolution limit [Å] | 1.620 | 7.240 | 1.620 |
Rmerge | 0.095 | 0.077 | 1.185 |
Rmeas | 0.112 | 0.090 | 1.401 |
Rpim | 0.059 | 0.047 | 0.739 |
Total number of observations | 409102 | 5052 | 30082 |
Number of reflections | 117953 | ||
<I/σ(I)> | 7.1 | 18.2 | 1 |
Completeness [%] | 98.5 | 99.7 | 97.9 |
Redundancy | 3.5 | 3.6 | 3.5 |
CC(1/2) | 0.991 | 0.986 | 0.503 |
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 |