Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-02-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 111.114, 111.114, 137.090 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 96.230 - 2.430 |
R-factor | 0.17468 |
Rwork | 0.173 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2W9I |
RMSD bond length | 0.005 |
RMSD bond angle | 1.089 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 96.230 | 2.520 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.050 | |
Number of reflections | 35368 | |
<I/σ(I)> | 34.8 | 5.5 |
Completeness [%] | 99.9 | 97.2 |
Redundancy | 5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 46% PEG200 (v/v) in 100 mM NaCl/1 mM MES, pH 6.5. |