3MAO
Crystal Structure of Human Methionine-R-Sulfoxide Reductase B1 (MsrB1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-02-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.054, 47.473, 57.809 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.690 - 1.420 |
| R-factor | 0.14188 |
| Rwork | 0.140 |
| R-free | 0.16964 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e0o |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.690 | 1.500 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.069 | 0.392 |
| Number of reflections | 18197 | |
| <I/σ(I)> | 15.4 | 3.7 |
| Completeness [%] | 99.7 | 98.2 |
| Redundancy | 6.1 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 2.6M Na Malonate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K |
