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 |
