3O3P
Crystal structure of R. xylanophilus MpgS in complex with GDP-Mannose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 108.370, 108.370, 311.960 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.185 - 2.529 |
| R-factor | 0.1904 |
| Rwork | 0.188 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f1y |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.670 | 2.670 |
| High resolution limit [Å] | 2.529 | 2.529 |
| Rmerge | 0.073 | 0.526 |
| Total number of observations | 254012 | |
| Number of reflections | 37299 | |
| <I/σ(I)> | 7.3 | 0.218 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1M MES pH 6.0, 2M NaCl, 0.1M NaH2PO4, 0.1M KH2PO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
