3BNK
X-ray crystal structure of Flavoredoxin from Methanosarcina acetivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-05-08 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5414 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.033, 74.828, 75.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.214 |
Rwork | 0.208 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.361 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.120 |
High resolution limit [Å] | 2.050 | 4.410 | 2.050 |
Rmerge | 0.095 | 0.036 | 0.440 |
Number of reflections | 22357 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 98.3 | 99.9 | 84.9 |
Redundancy | 15.2 | 15.3 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris-HCl (pH 8.0), 0.1 M NaBr, 30 % PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |