1WTF
Crystal structure of Bacillus thermoproteolyticus Ferredoxin Variants Containing Unexpected [3Fe-4S] Cluster that is linked to Coenzyme A at 1.6 A Resolution
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 | 2004-01-29 |
Detector | MARRESEARCH |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.461, 63.387, 56.857 |
Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
Resolution | 31.840 - 1.600 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.21400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 2.000 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.062 | 0.062 |
Number of reflections | 49210 | |
<I/σ(I)> | 7.5 | 7.5 |
Completeness [%] | 98.5 | 98.5 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | Ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | Ammonium sulfate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |