5RAB
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001726a
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 | 57.660, 93.640, 93.470 |
Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
Resolution | 89.000 - 1.520 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.21020 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.011 |
RMSD bond angle | 1.773 |
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] | 93.640 | 93.640 | 1.560 |
High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
Rmerge | 0.054 | 0.040 | 1.048 |
Rmeas | 0.065 | 0.047 | 1.237 |
Rpim | 0.034 | 0.025 | 0.651 |
Total number of observations | 492578 | 6076 | 37263 |
Number of reflections | 143476 | ||
<I/σ(I)> | 10.5 | 32.9 | 1.1 |
Completeness [%] | 99.0 | 98.9 | 99.1 |
Redundancy | 3.4 | 3.6 | 3.5 |
CC(1/2) | 0.997 | 0.995 | 0.558 |
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 |