5RAG
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001767a
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, 93.750, 93.500 |
Unit cell angles | 90.00, 107.69, 90.00 |
Refinement procedure
Resolution | 64.660 - 1.520 |
R-factor | 0.1826 |
Rwork | 0.181 |
R-free | 0.20240 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6rbj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.825 |
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] | 64.580 | 64.580 | 1.560 |
High resolution limit [Å] | 1.520 | 6.800 | 1.520 |
Rmerge | 0.051 | 0.026 | 1.057 |
Rmeas | 0.060 | 0.031 | 1.255 |
Rpim | 0.032 | 0.016 | 0.667 |
Total number of observations | 494365 | 6129 | 37162 |
Number of reflections | 144211 | ||
<I/σ(I)> | 12.2 | 46.9 | 1.2 |
Completeness [%] | 99.3 | 99.4 | 99.7 |
Redundancy | 3.4 | 3.6 | 3.5 |
CC(1/2) | 0.999 | 0.998 | 0.525 |
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 |