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 | 2016-07-02 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.200, 118.300, 56.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.300 - 2.300 |
R-factor | 0.2246 |
Rwork | 0.223 |
R-free | 0.26350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kbe |
RMSD bond length | 0.004 |
RMSD bond angle | 0.657 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.300 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 9592 | 1769 |
<I/σ(I)> | 9.26 | |
Completeness [%] | 99.6 | |
Redundancy | 6.1 | |
CC(1/2) | 0.990 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 0.2M Mg-acetate.tetrahydrate, 15% w/v PEG 3350 |