3ZX4
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate,orthophosphate and magnesium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-03 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.900, 70.740, 92.300 |
Unit cell angles | 90.00, 95.36, 90.00 |
Refinement procedure
Resolution | 38.533 - 1.740 |
R-factor | 0.1746 |
Rwork | 0.172 |
R-free | 0.21910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zty |
RMSD bond length | 0.006 |
RMSD bond angle | 1.020 |
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] | 60.000 | 1.790 |
High resolution limit [Å] | 1.740 | 1.740 |
Rmerge | 0.060 | 0.290 |
Number of reflections | 50839 | |
<I/σ(I)> | 11.81 | 3.06 |
Completeness [%] | 96.8 | 91.1 |
Redundancy | 3.4 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | SEE REMARK 1 REFERENCE ABOVE, pH 6.5 |