3F8N
Crystal structure of PerR-Zn-Mn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.300, 63.340, 66.730 |
| Unit cell angles | 90.00, 80.41, 90.00 |
Refinement procedure
| Resolution | 45.640 - 3.150 |
| R-factor | 0.27667 |
| Rwork | 0.275 |
| R-free | 0.31494 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fe3 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.564 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.400 |
| High resolution limit [Å] | 3.150 | 3.150 |
| Total number of observations | 1224 | |
| Number of reflections | 6880 | |
| <I/σ(I)> | 11.8 | 3.63 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 2.2 | 3.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% PEG 1000, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
