3ZUP
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 21 21 21 |
Unit cell lengths | 39.368, 88.049, 146.457 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.161 - 1.804 |
R-factor | 0.1829 |
Rwork | 0.180 |
R-free | 0.22970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zty |
RMSD bond length | 0.007 |
RMSD bond angle | 1.032 |
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 | 1.910 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.320 |
Number of reflections | 47907 | |
<I/σ(I)> | 19.29 | 3.67 |
Completeness [%] | 97.8 | 91.9 |
Redundancy | 4.3 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | SEE REFERENCE IN REMARK 1, pH 6.5 |