7CB6
The silver-bound 6-phosphogluconate dehydrogenase from Staphylococcus aureus (strain Newman)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-23 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.860, 133.860, 171.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.340 - 2.640 |
| R-factor | 0.2059 |
| Rwork | 0.204 |
| R-free | 0.24630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cb0 |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.448 |
| Data reduction software | xia2 (2) |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.18.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.270 | 80.270 | 2.710 |
| High resolution limit [Å] | 2.640 | 11.810 | 2.640 |
| Rmerge | 0.129 | 0.030 | 1.279 |
| Rmeas | 0.134 | 0.031 | 1.327 |
| Rpim | 0.036 | 0.009 | 0.351 |
| Total number of observations | 834281 | 9279 | 63963 |
| Number of reflections | 62107 | 803 | 4549 |
| <I/σ(I)> | 18.5 | 67.2 | 2.3 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 13.4 | 11.6 | 14.1 |
| CC(1/2) | 0.999 | 1.000 | 0.796 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M NaNO3, 0.2M NH4NO3, 0.1M MES-Na, 50% PEG 3350 |
