Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2009-12-10 |
Detector | AGILENT ATLAS CCD |
Wavelength(s) | 1.54 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 53.460, 53.460, 111.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 14.870 - 2.100 |
R-factor | 0.23683 |
Rwork | 0.231 |
R-free | 0.28875 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bsy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.619 |
Data reduction software | CrysalisPro |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.870 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.038 | 0.155 |
Number of reflections | 11154 | |
<I/σ(I)> | 13.3 | 3.5 |
Completeness [%] | 98.9 | 96.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM oleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |