Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-04 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.931, 60.529, 86.641 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 40.190 - 2.000 |
R-factor | 0.19408 |
Rwork | 0.191 |
R-free | 0.24948 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 1.816 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.190 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.138 |
Number of reflections | 38557 |
<I/σ(I)> | 5.9 |
Completeness [%] | 98.7 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 300 | 20% PEG 3350, 0.2M MG(OAC)2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |