5H93
Crystal structure of Geobacter metallireducens SMUG1
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 | 2015-09-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.354, 57.950, 90.596 |
| Unit cell angles | 70.80, 71.87, 75.06 |
Refinement procedure
| Resolution | 32.500 - 2.176 |
| R-factor | 0.2227 |
| Rwork | 0.221 |
| R-free | 0.25230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe4 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.749 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.132 | 0.502 |
| Number of reflections | 54021 | |
| <I/σ(I)> | 8.7 | 1.46 |
| Completeness [%] | 94.6 | 88.2 |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 16-21% PEG6000, 0.2M NaCl or (NH4)2SO4 and 0.1M MES (pH 6.0) |
