5RAY
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001469a
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 | 57.860, 93.620, 93.661 |
Unit cell angles | 90.00, 108.06, 90.00 |
Refinement procedure
Resolution | 47.470 - 1.630 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.22130 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.677 |
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] | 47.430 | 47.430 | 1.670 |
High resolution limit [Å] | 1.630 | 7.290 | 1.630 |
Rmerge | 0.044 | 0.020 | 1.220 |
Rmeas | 0.053 | 0.023 | 1.450 |
Rpim | 0.028 | 0.012 | 0.774 |
Total number of observations | 396605 | 4973 | 29697 |
Number of reflections | 116492 | ||
<I/σ(I)> | 14.2 | 62.4 | 1 |
Completeness [%] | 98.6 | 99.2 | 99 |
Redundancy | 3.4 | 3.7 | 3.4 |
CC(1/2) | 0.999 | 0.998 | 0.497 |
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 |