1XLO
Structure of reduced 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 | 2004-06-06 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.098, 75.097, 108.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.800 - 1.840 |
R-factor | 0.2381 |
Rwork | 0.230 |
R-free | 0.23750 |
Structure solution method | rigid body refinement |
Starting model (for MR) | 1oqq |
RMSD bond length | 0.005 |
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] | 30.840 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.097 | 0.498 |
Number of reflections | 17739 | |
<I/σ(I)> | 16.6 | 1.6 |
Completeness [%] | 98.0 | 93.8 |
Redundancy | 3.7 | 2.6 |
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 |