8H1N
Crystal structure of glucose-2-epimerase mutant_D254A in complex with D-Glucitol from Runella slithyformis Runsl_4512
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2022-05-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 111.839, 111.839, 113.384 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.080 - 2.670 |
R-factor | 0.1909 |
Rwork | 0.188 |
R-free | 0.24670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vw5 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.537 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.080 | 2.770 |
High resolution limit [Å] | 2.670 | 2.670 |
Rmerge | 0.690 | |
Number of reflections | 20958 | 1995 |
<I/σ(I)> | 8.68 | |
Completeness [%] | 99.7 | |
Redundancy | 25.9 | |
CC(1/2) | 0.996 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 3.6M sodium formate, 486 mM D-glucitol |