7CB5
The 6-phosphogluconate dehydrogenase from Staphylococcus aureus (6-phosphogluconate bound)
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 | 91.920, 132.620, 169.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.030 - 2.540 |
| R-factor | 0.2015 |
| Rwork | 0.199 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bc0 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.547 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.18.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 80.840 | 80.840 | 2.610 |
| High resolution limit [Å] | 2.540 | 11.360 | 2.540 |
| Rmerge | 0.113 | 0.030 | 1.330 |
| Rmeas | 0.117 | 0.032 | 1.381 |
| Rpim | 0.032 | 0.009 | 0.368 |
| Total number of observations | 931049 | 10541 | 70425 |
| Number of reflections | 69146 | 885 | 5067 |
| <I/σ(I)> | 18.5 | 58.6 | 2.1 |
| Completeness [%] | 99.9 | 99.7 | 100 |
| Redundancy | 13.5 | 11.9 | 13.9 |
| CC(1/2) | 0.999 | 0.999 | 0.814 |
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, 22% PEG 3350 |
