3AZ6
Crystal structure of Co/T-HEWL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-07 |
Detector | RIGAKU RAXIS VII |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.702, 78.702, 36.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.760 - 1.500 |
R-factor | 0.19997 |
Rwork | 0.199 |
R-free | 0.22173 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 193l |
RMSD bond length | 0.008 |
RMSD bond angle | 1.126 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (6.1.13) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.047 | 0.268 |
Number of reflections | 18996 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 24 | 25.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | sodium chloride, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |