7D8I
Crystal structure of nucleoside phosphatase Sa1684 complex with ATP analogue from staphylococus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-01-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2809 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.298, 36.478, 56.074 |
| Unit cell angles | 90.00, 108.52, 90.00 |
Refinement procedure
| Resolution | 42.450 - 1.620 |
| R-factor | 0.1783 |
| Rwork | 0.177 |
| R-free | 0.19630 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.713 |
| 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 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.070 | |
| Number of reflections | 24142 | 1219 |
| <I/σ(I)> | 23.05 | |
| Completeness [%] | 99.7 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289.15 | 20% PEG400, 0.1M sodium citrate pH 5.5 |
