Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.086, 63.296, 81.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.530 - 2.000 |
R-factor | 0.20783 |
Rwork | 0.205 |
R-free | 0.26495 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.587 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.530 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 17062 | |
Completeness [%] | 96.0 | 91.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.05 M Ammonium Sulfate, 0.05M Bis Tris (pH6.5), 30% Pentaerythritol Ethoxylate, VAPOR DIFFUSION, SITTING DROP, temperature 295K |