1E3D
[NiFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 27774
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-05-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.090, 169.980, 72.620 |
| Unit cell angles | 90.00, 92.80, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.800 |
| R-factor | 0.1671 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1frv |
| RMSD bond length | 0.021 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 0.412 |
| Total number of observations | 337524 * | |
| Number of reflections | 135264 | |
| <I/σ(I)> | 4.5 | 1.7 |
| Completeness [%] | 95.4 | 96 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 8.5 | 25% (W/V) PEG 4000, 0.1 M TRIS-HCL BUFFER PH 8.5, 0.2 M MGCL2 AND A TRACE AMOUNT OF A DETERGENT, C12-DAO. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG4000 | 25 (%(w/v)) | |
| 2 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
| 3 | 1 | reservoir | 0.2 (M) | ||
| 4 | 1 | reservoir | C12-DAO |
