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 |
