5A7R
Human poly(ADP-ribose) glycohydrolase in complex with synthetic dimeric ADP-ribose
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 | 2014-08-01 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.457, 91.277, 96.123 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.190 - 1.950 |
R-factor | 0.13928 |
Rwork | 0.137 |
R-free | 0.17890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a0d |
RMSD bond length | 0.019 |
RMSD bond angle | 1.547 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.220 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.580 |
Number of reflections | 44881 | |
<I/σ(I)> | 21.4 | 4.9 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 13.2 | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 20% PEG3350, 0.2 M AMMONIUM SULFATE, 0.1 M PCTP PH 7.5 |