4CEX
1.59 A resolution Fluoride inhibited Sporosarcina pasteurii urease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-19 |
Detector | MARRESEARCH |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 131.331, 131.331, 188.882 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 113.736 - 1.589 |
R-factor | 0.131 |
Rwork | 0.130 |
R-free | 0.15020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ac7 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 113.740 | 1.630 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.100 | 0.520 |
Number of reflections | 128776 | |
<I/σ(I)> | 19.7 | 4.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.4 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 1.8 M AMMONIUM SULPHATE, 50 MM SODIUM SULPHITE, 50 MM SODIUM CITRATE, 100 MM SODIUM FLUORIDE, pH 6.5 |