1SZF
A198G:L230A mutant flavocytochrome b2 with pyruvate bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9340 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 163.413, 163.413, 112.425 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.000 - 2.700 |
R-factor | 0.22155 |
Rwork | 0.220 |
R-free | 0.25331 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdb id 1fcb |
RMSD bond length | 0.011 |
RMSD bond angle | 1.438 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.071 | 0.202 |
Number of reflections | 47555 | |
<I/σ(I)> | 14.8 | 4.8 |
Completeness [%] | 99.6 | 99.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 291 | 0.1 M citrate, 200 mM NaBr, 12-15 % PEG3350, 18-20% glycerol, 50 mM pyruvate, pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 291K |