6YDM
beta-phosphoglucomutase from Lactococcus lactis with citrate, tris and acetate bound
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 | 2018-04-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.130, 76.640, 117.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.610 - 2.100 |
Rwork | 0.230 |
R-free | 0.28970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2whe |
RMSD bond length | 0.009 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 117.300 | 46.570 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.029 | 0.536 | |
Rmeas | 0.098 | 0.045 | 0.574 |
Rpim | 0.033 | 0.011 | 0.198 |
Number of reflections | 27995 | 3349 | 2095 |
<I/σ(I)> | 13.7 | 30.5 | 3.7 |
Completeness [%] | 97.5 | 98.4 | 90.1 |
Redundancy | 8.6 | 7.5 | 7.6 |
CC(1/2) | 0.999 | 0.999 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 4000, sodium acetate (200 mM), TRIS (100 mM), HEPES (50 mM), magnesium chloride (5 mM), EDTA (1 mM), sodium azide (2 mM), trisodium citrate (50 mM), beta-phosphoglucomutase (0.6 mM) |