6HDL
R49K variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.2 A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97629 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.550, 54.300, 104.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.350 - 1.160 |
R-factor | 0.13387 |
Rwork | 0.132 |
R-free | 0.16356 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wf5 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.506 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.550 | 1.180 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.068 | 1.345 |
Rmeas | 0.073 | 1.475 |
Rpim | 0.027 | 0.591 |
Number of reflections | 73452 | 3389 |
<I/σ(I)> | 14.2 | |
Completeness [%] | 98.5 | 92.3 |
Redundancy | 7.1 | 5.9 |
CC(1/2) | 0.999 | 0.515 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG 4000 200mM sodium acetate 50mM TRIS pH 7.5 |