3CXK
1.7 A Crystal structure of methionine-R-sulfoxide reductase from Burkholderia pseudomallei: crystallization in a microfluidic crystal card.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-11 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.979315 |
| Spacegroup name | P 1 |
| Unit cell lengths | 41.997, 45.171, 45.402 |
| Unit cell angles | 88.41, 83.73, 69.10 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cez |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.408 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.068 | 0.051 | 0.423 |
| Number of reflections | 32539 | ||
| <I/σ(I)> | 8 | ||
| Completeness [%] | 95.3 | 95.3 | 87.4 |
| Redundancy | 3.6 | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROFLUIDIC MICROBATCH IN A CRYSTAL CARD | 4.5 | 293 | 30% MPD, 0.1M Acetate, 25% PEG 1500, pH 4.5, MICROFLUIDIC MICROBATCH IN A CRYSTAL CARD, temperature 293K |
