3ZX5
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, covalently bound to vanadate and in complex with alpha- mannosylglycerate and magnesium
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 | 2011-02-17 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.948, 71.263, 91.217 |
Unit cell angles | 90.00, 95.52, 90.00 |
Refinement procedure
Resolution | 28.772 - 1.810 |
R-factor | 0.1702 |
Rwork | 0.168 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zty |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.080 | 0.540 |
Number of reflections | 46178 | |
<I/σ(I)> | 8.99 | 1.92 |
Completeness [%] | 99.2 | 98.8 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | SEE REFERENCE 1 IN REMARK 1., pH 6.5 |