2HQ1
Crystal Structure of ORF 1438 a putative Glucose/ribitol dehydrogenase from Clostridium thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 77.982, 99.487, 69.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.23321 |
| Rwork | 0.232 |
| R-free | 0.24902 |
| Structure solution method | Molecular Replacemet |
| Starting model (for MR) | 1edo |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.054 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 19128 | |
| <I/σ(I)> | 21.2 | 3.23 |
| Completeness [%] | 92.7 | 57.9 |
| Redundancy | 6.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | HANGING DROP VAPOR DIFUSION USING 1 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN SOLUTION (9 MG/ML) AND A PRECIPITANT SOLUTION CONTAINING 0.1M AMMONIUM DIHYDROGEN PHOSPHATE AND 20% W/V PEG 3350, SETUP AT 291K. |
