Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-26 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 63 |
Unit cell lengths | 90.443, 90.443, 76.380 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.173 - 2.000 |
Rwork | 0.224 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1goj |
RMSD bond length | 0.017 |
RMSD bond angle | 1.414 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.059 | 0.040 | 0.411 |
Number of reflections | 46976 | 4754 | 4745 |
<I/σ(I)> | 18.2 | ||
Completeness [%] | 99.1 | ||
Redundancy | 5.2 | 5.4 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1.5M ammonium sulfate, 0.1M TRIS, pH 8.5, vapor diffusion, sitting drop, temperature 291K |