7D8G
The crystal structure of nucleotide phosphatase Sa1684 from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-01-18 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98752 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.906, 36.056, 56.309 |
| Unit cell angles | 90.00, 109.16, 90.00 |
Refinement procedure
| Resolution | 30.320 - 1.500 |
| R-factor | 0.1664 |
| Rwork | 0.165 |
| R-free | 0.18870 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.790 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | |
| Number of reflections | 29587 | 1466 |
| <I/σ(I)> | 27.25 | |
| Completeness [%] | 98.6 | 95.3 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 20% PEG400, 0.1M sodium citrate pH 5.5. |
