3SB1
Hydrogenase expression protein HupH from Thiobacillus denitrificans ATCC 25259
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.06885 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.306, 39.291, 65.192 |
| Unit cell angles | 90.00, 104.74, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.670 |
| R-factor | 0.16865 |
| Rwork | 0.167 |
| R-free | 0.19863 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.693 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rmerge | 0.048 | 0.170 |
| Number of reflections | 23758 | |
| <I/σ(I)> | 62.7 | 13.6 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 7.2 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 15% PEG6000, 5% Glycerol, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
