Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-01-16 |
Detector | ENRAF-NONIUS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 83.699, 83.699, 105.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.215 |
Rwork | 0.213 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pzn |
RMSD bond length | 0.007 |
RMSD bond angle | 1.210 |
Data reduction software | LSCALE |
Data scaling software | LSCALE |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.039 | 0.279 |
Number of reflections | 28217 | |
<I/σ(I)> | 14.9 | |
Completeness [%] | 99.8 | 99.1 |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 294 | 7% PEG 3350, 50 MM HEPES BUFFER, 50 MM MGCL2, 0.6 M K AC, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 294K |