4WVB
Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with glucose
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 | 2011-11-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 |
| Unit cell lengths | 93.445, 93.445, 254.141 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.740 - 1.770 |
| R-factor | 0.15985 |
| Rwork | 0.158 |
| R-free | 0.18692 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z07 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.422 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.045 | 0.208 |
| Number of reflections | 80188 | |
| <I/σ(I)> | 51.3 | 10.8 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 5.6 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 30% MPD, 100 mM sodium citrate buffer, pH 5.5 |
