6H8Z
T16A variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.6 A.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-17 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.267, 53.887, 82.269 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.080 - 1.600 |
R-factor | 0.23861 |
Rwork | 0.236 |
R-free | 0.28368 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2whe |
RMSD bond length | 0.012 |
RMSD bond angle | 1.531 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.080 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.067 | 1.715 |
Rmeas | 0.072 | 1.857 |
Rpim | 0.027 | 0.703 |
Number of reflections | 28426 | 1409 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 100.0 | 99.4 |
Redundancy | 6.9 | 6.7 |
CC(1/2) | 0.999 | 0.579 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG4000, 200 mM sodium acetate, 50 mM TRIS pH 7.5 |