Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-15 |
Detector | RIGAKU |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 63.500, 154.710, 77.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.580 - 3.150 |
R-factor | 0.1852 |
Rwork | 0.181 |
R-free | 0.26550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lw1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.285 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.580 | 19.580 | 3.200 |
High resolution limit [Å] | 3.150 | 12.000 | 3.150 |
Rmerge | 0.086 | 0.020 | 0.265 |
Rmeas | 0.102 | 0.024 | 0.312 |
Number of reflections | 6825 | 115 | 306 |
<I/σ(I)> | 16.05 | 47.45 | 5.32 |
Completeness [%] | 99.3 | 73.7 | 100 |
Redundancy | 3.584 | 3.017 | 3.641 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277.15 | 0.1 M Tris/HCl, 10% PEG 8000, 500 mM MgCl2, pH 7 |