1WSW
Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, dimer, semiquinone state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.050, 55.050, 121.620 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.970 - 1.690 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j9g |
RMSD bond length | 0.047 |
RMSD bond angle | 3.800 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.412 | 1.690 |
High resolution limit [Å] | 1.500 | 1.600 |
Number of reflections | 17055 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 8.4 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Ammonium Sulphate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |