7D8Q
The structure of nucleotide phosphatase Sa1684 complex with GDP analogue 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 6M |
Wavelength(s) | 0.9875 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.659, 36.124, 58.924 |
Unit cell angles | 90.00, 111.46, 90.00 |
Refinement procedure
Resolution | 30.190 - 1.500 |
R-factor | 0.165 |
Rwork | 0.164 |
R-free | 0.18600 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 2.193 |
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 | 0.060 | |
Number of reflections | 30428 | 1505 |
<I/σ(I)> | 29.8 | |
Completeness [%] | 98.7 | |
Redundancy | 6.6 | |
CC(1/2) | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 20%PEG400, 0.1M sodium citrate pH 5.5 |