3DUR
Crystal structure of SAG173-04
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-05-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.760, 72.190, 85.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.897 - 1.860 |
R-factor | 0.182 |
Rwork | 0.178 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.821 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.4SSI) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.900 | 19.900 | 1.930 |
High resolution limit [Å] | 1.860 | 4.000 | 1.860 |
Rmerge | 0.092 | 0.055 | 0.292 |
Total number of observations | 16967 | 15641 | |
Number of reflections | 35356 | ||
<I/σ(I)> | 9.1 | 18.4 | 3.9 |
Completeness [%] | 94.9 | 86.3 | 98.2 |
Redundancy | 4.68 | 4.95 | 4.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | PEG 4000, MgCl2, pH 8.5, vapor diffusion, temperature 298K |