1IR0
OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM II)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-05-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.55 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 53.560, 30.380, 50.920 |
| Unit cell angles | 90.00, 124.02, 90.00 |
Refinement procedure
| Resolution | 13.300 - 1.000 |
| R-factor | 0.112 |
| Rwork | 0.112 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2FXB |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.000 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.300 | 1.050 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.046 | 0.064 |
| Total number of observations | 189925 * | |
| Number of reflections | 35329 | |
| <I/σ(I)> | 9.5 | 9.5 |
| Completeness [%] | 97.1 | 95.4 |
| Redundancy | 5.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICRODIALYSIS | 6.5 | 277 | ammonium sulfate, MES, pH 6.5, MICRODIALYSIS, temperature 277.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | MES | 0.1 (M) | pH6.5-7.2 (or PIPES) |
| 2 | 1 | 1 | ammonium sulfate | 81.5 (%saturated) |
