Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-11-05 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 40.810, 71.700, 131.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.000 - 1.868 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2uzk |
RMSD bond length | 0.013 |
RMSD bond angle | 1.924 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.938 | 1.960 |
High resolution limit [Å] | 1.868 | 1.868 |
Rmerge | 0.044 | 0.251 |
Total number of observations | 12693 | |
Number of reflections | 16135 | |
<I/σ(I)> | 12.2 | 3 |
Completeness [%] | 96.6 | 81.6 |
Redundancy | 7 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 292 | HEPES, MgCl2, PEG MME, pH 7.3, vapor diffusion, hanging drop, temperature 292K, VAPOR DIFFUSION, HANGING DROP |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | HEPES | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 1 | PEG MME | ||
4 | 1 | 2 | HEPES | ||
5 | 1 | 2 | MgCl2 | ||
6 | 1 | 2 | PEG MME |