5H9I
Crystal structure of Geobacter metallireducens SMUG1 with xanthine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2015-11-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.972, 64.339, 45.654 |
| Unit cell angles | 90.00, 111.40, 90.00 |
Refinement procedure
| Resolution | 38.051 - 1.501 |
| R-factor | 0.1732 |
| Rwork | 0.172 |
| R-free | 0.20520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oe4 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.308 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.057 | 0.617 |
| Number of reflections | 40018 | |
| <I/σ(I)> | 22.2 | 2.6 |
| Completeness [%] | 98.9 | 98 |
| Redundancy | 3.7 | 3.8 |
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) |
