1IQZ
OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM I)
Replaces: 2FXBReplaces: 1FXBExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-06-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.70 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 69.700, 37.450, 32.560 |
Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
Resolution | 7.000 - 0.920 |
R-factor | 0.0972 |
Rwork | 0.097 |
R-free | 0.11000 * |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2FXB |
RMSD bond length | 0.016 * |
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] | 13.500 | 0.960 |
High resolution limit [Å] | 0.920 | 0.920 |
Rmerge | 0.074 | 0.219 |
Total number of observations | 265846 * | |
Number of reflections | 54415 | |
<I/σ(I)> | 6.5 | 2.7 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 4.9 | 3.6 |
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) |