3TSG
Crystal structure of GES-14
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-07 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 70.745, 84.098, 85.026 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.610 - 1.900 |
R-factor | 0.16525 |
Rwork | 0.163 |
R-free | 0.20473 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qpn |
RMSD bond length | 0.009 |
RMSD bond angle | 1.220 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.610 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 40657 | |
<I/σ(I)> | 11.6 | 3.6 |
Completeness [%] | 99.9 | 97.2 |
Redundancy | 7.1 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Na iodide, 30 % PEG 3350, 5 % Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 293K |