Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-01 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.032, 91.032, 86.380 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.140 - 2.200 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 20110 | |
Completeness [%] | 93.8 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 3 | 277 | 4M Sodium Formate, pH 3.00, VAPOR DIFFUSION, temperature 277K |