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 |