6HH6
Human poly(ADP-ribose) glycohydrolase in complex with ADP-HPM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-02-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9174 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.316, 90.875, 95.276 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.150 - 1.850 |
R-factor | 0.16759 |
Rwork | 0.166 |
R-free | 0.20027 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5a7r |
RMSD bond length | 0.012 |
RMSD bond angle | 1.578 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.090 | 1.890 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.221 | 2.674 |
Rmeas | 0.239 | 2.916 |
Rpim | 0.064 | 1.150 |
Number of reflections | 50546 | 3055 |
<I/σ(I)> | 10 | 1.3 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 13.3 | 12.3 |
CC(1/2) | 0.996 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 20% PEG3350, 0.2 M AMMONIUM SULFATE, 0.1 M PCTP PH 7.5 |