8K6W
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 | 2018-11-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 63 |
Unit cell lengths | 102.360, 102.360, 78.370 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.700 - 2.500 |
Rwork | 0.175 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mbq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.339 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.700 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 16291 | 1837 |
<I/σ(I)> | 18.7 | |
Completeness [%] | 100.0 | |
Redundancy | 46.3 | |
CC(1/2) | 0.990 | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | MORPHEUS H4 condition:0.1 M Amino acid mix, 0.1 M buffer system pH 6.5, 50% V/V precipitant mix 4 |