8HRV
dutpase of helicobacter pylori 26695
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9805 |
Spacegroup name | P 63 |
Unit cell lengths | 103.869, 103.869, 78.651 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.280 - 2.000 |
Rwork | 0.145 |
R-free | 0.18120 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.442 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.950 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.129 | |
Number of reflections | 32696 | 2380 |
<I/σ(I)> | 18 | |
Completeness [%] | 100.0 | |
Redundancy | 19.3 | |
CC(1/2) | 0.990 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.1 M amino acid mix,0.1 M buffer system1 pH 6.5, 50% v/v precipitant mix4 |