6IGS
Crystal structure of HPRT from F. tularensis with Zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-16 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.764, 90.193, 113.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.240 - 2.160 |
R-factor | 0.1849 |
Rwork | 0.183 |
R-free | 0.23240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ohp |
RMSD bond length | 0.017 |
RMSD bond angle | 1.860 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 37.240 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.091 | 0.040 | 1.037 |
Rmeas | 0.101 | 0.043 | 1.160 |
Rpim | 0.042 | 0.017 | 0.513 |
Number of reflections | 44059 | 2400 | 2183 |
<I/σ(I)> | 10.3 | 2.25 | |
Completeness [%] | 99.6 | 99.6 | 100 |
Redundancy | 5.8 | 6.6 | 5.2 |
CC(1/2) | 0.997 | 0.671 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% PEG 3350, 0.2M lithium sulphate pH 7.0, 5mM ZnCl2 |