Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 95 |
Detector technology | IMAGE PLATE |
Collection date | 2007-02-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.931, 100.727, 126.223 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.400 |
R-factor | 0.237 |
Rwork | 0.216 |
R-free | 0.22300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3k57 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.811 |
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] | 30.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.161 | 0.692 |
Number of reflections | 40765 | |
<I/σ(I)> | 10.1 | 2.8 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 6 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, 20% PEGmme5000, 0.2 M ammonium sulfate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |