3V3R
Crystal Structure of GES-11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-11-02 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 70.680, 85.240, 85.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.898 |
| R-factor | 0.19398 |
| Rwork | 0.192 |
| R-free | 0.23168 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qpn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.377 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.920 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.523 | |
| Number of reflections | 40335 | |
| <I/σ(I)> | 8.98 | 2.35 |
| Completeness [%] | 94.1 | 87.2 |
| Redundancy | 4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M NA IODIDE, 30 % PEG 3350, 5 % GLYCEROL, pH none, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
