Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-05-24 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.047, 73.583, 47.399 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.010 - 2.200 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.29300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.305 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.020 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.068 | 0.258 |
Total number of observations | 3735 | |
Number of reflections | 13187 | |
<I/σ(I)> | 10.4 | 3.8 |
Completeness [%] | 98.9 | 97.2 |
Redundancy | 3.48 | 2.89 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.6, 27% PEG4000 FOLLOWED BY FURTHER EQUILIBRATION AFTER INITIAL CRYSTALLIZATION OVER 0.2M AMMONIUM SULFATE, 0.1M SODIUM ACETATE PH 4.6, 30% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |