5OJ4
Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D182A variant in complex with mannosylglycerate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-12 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96600 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.329, 159.632, 91.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.110 - 1.790 |
R-factor | 0.1454 |
Rwork | 0.144 |
R-free | 0.17290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ohz |
RMSD bond length | 0.010 |
RMSD bond angle | 0.986 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.110 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.074 | 1.052 |
Rmeas | 0.080 | 1.141 |
Rpim | 0.031 | 0.436 |
Number of reflections | 117039 | |
<I/σ(I)> | 16.5 | 1.7 |
Completeness [%] | 99.4 | 95.9 |
Redundancy | 6.7 | 6.5 |
CC(1/2) | 0.999 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Tris-Bicine pH 8.5, amino acids, PEG 4000, glycerol |