4WVC
Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with Tris and D-glycerate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-14 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 92.940, 92.940, 190.401 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.145 - 2.100 |
R-factor | 0.24653 |
Rwork | 0.245 |
R-free | 0.27971 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.394 |
Data reduction software | SCALEPACK |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.110 | 0.190 |
Number of reflections | 55067 | |
<I/σ(I)> | 9.3 | 5.5 |
Completeness [%] | 97.6 | 93.6 |
Redundancy | 4.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.4M potassium sodium tartrate, 0.1M HEPES-NaOH (pH 7.5), 50mM calcium chloride, 10mM D-glycerate |