Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-29 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 69.644, 62.165, 69.935 |
Unit cell angles | 90.00, 113.99, 90.00 |
Refinement procedure
Resolution | 34.650 - 1.740 |
R-factor | 0.18182 |
Rwork | 0.180 |
R-free | 0.20737 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.610 |
Refinement software | REFMAC (5.6.0041) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.650 | 1.790 |
High resolution limit [Å] | 1.740 | 1.750 |
Number of reflections | 53875 | |
<I/σ(I)> | 12.6 | 1.4 |
Completeness [%] | 97.6 | 80 |
Redundancy | 4.9 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 300 | 0.1M Tris-HCl pH 8.0, 1.8M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 300.0K |