3WAU
Crystal structure of 4-O-beta-D-mannosyl-D-glucose phosphorylase MGP complexed with M1P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 82.716, 82.716, 308.291 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.367 - 1.700 |
| R-factor | 0.2011 |
| Rwork | 0.199 |
| R-free | 0.23420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vkd |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.077 | 0.303 |
| Number of reflections | 86345 | |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 5.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.15 | 291 | 2.0M ammonium sulfate, 2.0M ammonium diphosphate, pH 5.15, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
