Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 76.000, 76.000, 144.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.474 - 2.350 |
R-factor | 0.222 |
Rwork | 0.218 |
R-free | 0.25580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e2x |
RMSD bond length | 0.003 |
RMSD bond angle | 0.663 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.474 | 2.400 |
High resolution limit [Å] | 2.350 | 2.350 |
Rmerge | 0.071 | 0.410 |
Number of reflections | 18014 | |
<I/σ(I)> | 14 | 3.4 |
Completeness [%] | 98.6 | 97 |
Redundancy | 4.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 200mM Calcium Acetate, 100mM Sodium Cacodylate pH 6.5, 7% PEG 8000 |