1FRF
CRYSTAL STRUCTURE OF THE NI-FE HYDROGENASE FROM DESULFOVIBRIO FRUCTOSOVORANS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM02 |
| Synchrotron site | ESRF |
| Beamline | BM02 |
| Temperature [K] | 110 |
| Collection date | 1996-10-01 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.610, 99.770, 184.510 |
| Unit cell angles | 90.00, 90.88, 90.00 |
Refinement procedure
| Resolution | 12.000 - 2.700 |
| R-factor | 0.2201 |
| Rwork | 0.220 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1frv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 24.410 * |
| Data reduction software | CCP4 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.700 | 2.770 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.077 * | |
| Total number of observations | 79013 * | |
| Number of reflections | 33794 * | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 74.0 * | 56.4 |
| Redundancy | 2.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 6.4 | PEG 6000 28%, MES 100MM PH 6,4 25MM OCTYL-BETA-D-GLUCOPYRANOSIDE, pH 6.4 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 2 | MES | 100 (mM) | |
| 2 | 1 | 2 | ammonium acetate | 100 (mM) | |
| 3 | 1 | 2 | octyl-beta-D-glucopyranoside | 25 (mM) | |
| 4 | 1 | 2 | PEG6000 | 24-26 (%) |
