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 | 2018-01-26 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 69.200, 69.200, 49.200 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.030 - 1.650 |
R-factor | 0.1809 |
Rwork | 0.180 |
R-free | 0.18970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SWISS-MODELLER MODEL |
RMSD bond length | 0.007 |
RMSD bond angle | 0.874 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.930 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.033 | 0.501 |
Number of reflections | 18361 | 298 |
<I/σ(I)> | 34.9 | 1.5 |
Completeness [%] | 91.3 | 30.4 |
Redundancy | 8.9 | 2.2 |
CC(1/2) | 1.000 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 12% PEG 8000, 100 mM MES pH 6.0 |