6G48
Sporosarcina pasteurii urease inhibited by silver
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 | 2018-03-13 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.967700 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 131.088, 131.088, 189.059 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.430 - 1.910 |
R-factor | 0.16905 |
Rwork | 0.167 |
R-free | 0.20894 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g4h |
RMSD bond length | 0.014 |
RMSD bond angle | 1.625 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC (5.8.0049) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.430 | 1.950 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.130 | 1.622 |
Rmeas | 0.150 | 1.820 |
Rpim | 0.050 | 0.590 |
Number of reflections | 74481 | 4553 |
<I/σ(I)> | 13 | 1.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 9.1 | 9.3 |
CC(1/2) | 0.998 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50 mM citrate buffer pH 6.3, 1.8 M ammonium sulfate, 3e-4 M silver nitrate |