4WVA
Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with Tris
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 92.010, 92.010, 267.235 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.000 - 1.670 |
R-factor | 0.14695 |
Rwork | 0.146 |
R-free | 0.17272 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z07 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.314 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.059 | 0.318 |
Number of reflections | 96185 | |
<I/σ(I)> | 37 | 6.5 |
Completeness [%] | 99.2 | 98.2 |
Redundancy | 5.5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 30% MPD, 100mM Tris-HCl, pH 6.0 |