1XLN
Crystal structure of oxidized C73S/C85S putidaredoxin, a [2Fe-2S] ferredoxin from Pseudomonas putida
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 170 |
Detector technology | IMAGE PLATE |
Collection date | 2004-06-10 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.166, 75.449, 107.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.960 - 2.030 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.23100 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 1oqq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.960 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.078 | 0.372 |
Number of reflections | 13405 | |
<I/σ(I)> | 16.4 | 2.7 |
Completeness [%] | 98.4 | 91.9 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | Ammonium sulfate, sodium citrate, sodium/potassium phosphate, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |