3V3S
Crystal structure of GES-18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-09-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.184, 80.506, 87.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.900 |
| R-factor | 0.15952 |
| Rwork | 0.158 |
| R-free | 0.19555 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qpn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.418 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 43240 | |
| <I/σ(I)> | 24.8 | 5.9 |
| Completeness [%] | 96.3 | 90.7 |
| Redundancy | 4.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 293 | 0.02 M citric acid, 0.08 M Bis-Tris propane, 10 % PEG 3350 , pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
