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 |