3ZU6
The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and orthophosphate reaction products.
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 | 2010-07-03 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.930, 70.530, 92.630 |
Unit cell angles | 90.00, 95.70, 90.00 |
Refinement procedure
Resolution | 20.852 - 1.900 |
R-factor | 0.1851 |
Rwork | 0.182 |
R-free | 0.23760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zty |
RMSD bond length | 0.008 |
RMSD bond angle | 1.114 |
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] | 50.000 | 2.010 |
High resolution limit [Å] | 1.900 | 1.890 |
Rmerge | 0.130 | 0.730 |
Number of reflections | 114899 | |
<I/σ(I)> | 7.9 | 1.93 |
Completeness [%] | 95.0 | 85.7 |
Redundancy | 2.9 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | SEE REMARK 1 REFERENCE ABOVE., pH 6.5 |