7CB2
The 6-phosphogluconate dehydrogenase (NADP-bound) from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97917 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 95.530, 136.040, 164.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.760 - 2.150 |
| R-factor | 0.1987 |
| Rwork | 0.198 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cb0 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.554 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.18.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.760 | 47.760 | 2.210 |
| High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
| Rmerge | 0.142 | 0.060 | 1.384 |
| Rmeas | 0.148 | 0.063 | 1.438 |
| Rpim | 0.041 | 0.018 | 0.387 |
| Total number of observations | 1532159 | 15738 | 117228 |
| Number of reflections | 116921 | 1453 | 8564 |
| <I/σ(I)> | 12 | 27.9 | 2.4 |
| Completeness [%] | 99.9 | 98.7 | 100 |
| Redundancy | 13.1 | 10.8 | 13.7 |
| CC(1/2) | 0.998 | 0.998 | 0.810 |
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, 22% PEG3350 (w/v) |
