7CB0
The apo 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 | CCD |
| Collection date | 2017-12-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.830, 133.050, 165.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.910 - 2.520 |
| R-factor | 0.2047 |
| Rwork | 0.202 |
| R-free | 0.25020 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.534 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | MoRDa (27) |
| Refinement software | PHENIX (1.18.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.920 | 44.920 | 2.590 |
| High resolution limit [Å] | 2.520 | 11.270 | 2.520 |
| Rmerge | 0.255 | 0.082 | 1.772 |
| Rmeas | 0.265 | 0.085 | 1.840 |
| Rpim | 0.073 | 0.025 | 0.491 |
| Total number of observations | 912466 | 9545 | 69285 |
| Number of reflections | 67767 | 857 | 4980 |
| <I/σ(I)> | 8.3 | 20.9 | 1.7 |
| Completeness [%] | 100.0 | 98.6 | 100 |
| Redundancy | 13.5 | 11.1 | 13.9 |
| CC(1/2) | 0.995 | 0.997 | 0.610 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.1M NaNO3, 0.2M NH4NO3, 22% PEG 3350 (w/v) |
