5PKO
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 109)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 70.845, 70.845, 149.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.170 - 2.380 |
R-factor | 0.1624 |
Rwork | 0.159 |
R-free | 0.22730 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4d6r |
RMSD bond length | 0.015 |
RMSD bond angle | 1.651 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.170 | 29.170 | 2.470 |
High resolution limit [Å] | 2.380 | 8.570 | 2.380 |
Rmerge | 0.186 | 0.045 | 0.811 |
Rmeas | 0.194 | 0.048 | 0.847 |
Rpim | 0.054 | 0.014 | 0.239 |
Total number of observations | 199775 | 4427 | 17669 |
Number of reflections | 15838 | ||
<I/σ(I)> | 15 | 43.4 | 3.3 |
Completeness [%] | 98.4 | 97.7 | 86.6 |
Redundancy | 12.6 | 10.7 | 11.5 |
CC(1/2) | 0.997 | 0.999 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 28% PEG3350 -- 0.1M HEPES pH 7.0 -- 0.25M ammonium sulfate |