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 | 2014-11-12 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.393, 63.566, 98.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.842 - 2.635 |
R-factor | 0.2175 |
Rwork | 0.216 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p8z |
RMSD bond length | 0.010 |
RMSD bond angle | 1.370 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.700 |
High resolution limit [Å] | 2.635 | 2.650 |
Rmerge | 0.110 | 0.560 |
Number of reflections | 6377 | 232 |
<I/σ(I)> | 14.004 | 1.65 |
Completeness [%] | 91.6 | 67.1 |
Redundancy | 4.9 | 3.1 |
CC(1/2) | 0.996 | 0.806 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Peg 6000 (20%), 100mM Sodium acetate, 200mM Calcium Chloride Dihydrate, pH 5 |