1CC1
CRYSTAL STRUCTURE OF A REDUCED, ACTIVE FORM OF THE NI-FE-SE HYDROGENASE FROM DESULFOMICROBIUM BACULATUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 1996-10 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 110.390, 63.700, 99.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.150 |
| Rwork | 0.194 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.011 |
| RMSD bond angle | 24.400 * |
| Data reduction software | CCP4 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.857) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.180 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.083 * | 0.202 * |
| Total number of observations | 201153 * | |
| Number of reflections | 36050 | |
| Completeness [%] | 93.0 | 48.8 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.6 * | pH 6.2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 10 (mM) | |
| 3 | 1 | drop | DDAO | 2.1 (mM) | |
| 4 | 1 | reservoir | PEG8000 | 19-22 (%(w/v)) | |
| 5 | 1 | reservoir | sodium chloride | 0.1 (M) | |
| 6 | 1 | reservoir | MES | 0.1 (M) |
