5H98
Crystal structure of Geobacter metallireducens SMUG1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.289, 70.691, 58.560 |
| Unit cell angles | 90.00, 100.85, 90.00 |
Refinement procedure
| Resolution | 25.070 - 2.040 |
| R-factor | 0.2244 |
| Rwork | 0.224 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.106 | 0.999 |
| Number of reflections | 24247 | |
| <I/σ(I)> | 12.7 | 1.6 |
| Completeness [%] | 97.8 | 97.2 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 16-21% PEG 6000, 0.2M NaCl or (NH4)2SO4 and 0.1M MES (pH 6.0) |
