5FSD
1.75 A resolution 2,5-dihydroxybenzensulfonate 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 | PIXEL |
| Collection date | 2015-07-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 131.312, 131.312, 188.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 113.720 - 1.750 |
| R-factor | 0.13592 |
| Rwork | 0.134 |
| R-free | 0.16973 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ac7 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.970 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.430 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.100 | 1.450 |
| Number of reflections | 96874 | |
| <I/σ(I)> | 20 | 1.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.8 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.3 | 1.8 M AMMONIUM SULFATE, 50 MM SODIUM CITRATE BUFFER PH 6.3, 50 MM SODIUM SULFITE |
