4UE6
Structure of methylene blue-treated anaerobically purified D. fructosovorans NiFe-hydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-07-07 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.280, 99.550, 184.020 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 23.900 - 2.300 |
| R-factor | 0.15219 |
| Rwork | 0.151 |
| R-free | 0.18141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2frv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.358 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.900 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.060 | 0.210 |
| Number of reflections | 99290 | |
| <I/σ(I)> | 14.4 | 3.3 |
| Completeness [%] | 94.9 | 76.5 |
| Redundancy | 3.3 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | CRYSTAL GROWN IN GLOVE BOX, PEG6000, MES, PH 6.2, SOAKED 2 HOURS IN A METHYLENE BLUE SOLUTION BEFORE FLASH-FREEZING AND DATA COLLECTION |
