Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-02-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 133.351, 133.351, 217.759 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 2.700 |
R-factor | 0.21553 |
Rwork | 0.209 |
R-free | 0.27551 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2Z9E |
RMSD bond length | 0.017 |
RMSD bond angle | 1.845 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.061 | 0.432 |
Number of reflections | 27157 | |
<I/σ(I)> | 20.9 | 2.4 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 8.7 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 5.4 | 293 | 0.2M LI2SO4, 0.1M PHOSPHATE-CITRATE pH 5.4, 10% (V/V) ISO-PROPANOL, EVAPORATION, temperature 293K |