3ESX
E16KE61KD126KD150K Flavodoxin from Anabaena
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2007-10-11 |
Detector | Nonius Kappa CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.597, 104.142, 37.800 |
Unit cell angles | 90.00, 93.07, 90.00 |
Refinement procedure
Resolution | 18.470 - 2.310 |
R-factor | 0.18059 |
Rwork | 0.176 |
R-free | 0.23676 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1flv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.216 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.760 | 2.390 |
High resolution limit [Å] | 2.310 | 2.310 |
Rmerge | 0.036 | 0.053 |
Number of reflections | 11284 | |
Completeness [%] | 97.5 | 89.99 |
Redundancy | 1.7 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 22% PEG 8000, 0.2M Calcium chloride, 0.1M MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |