Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-01 |
Detector | SBC-3 |
Wavelength(s) | 0.97899 |
Spacegroup name | P 61 |
Unit cell lengths | 59.537, 59.537, 186.092 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.800 - 2.000 |
R-factor | 0.237 |
Rwork | 0.221 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3etw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.080 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.800 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.067 | 0.340 |
Number of reflections | 25002 | |
<I/σ(I)> | 3.5 | |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 295 | 0.1M Sodium citrate pH 5.2, and 0.1M Trimethylamine HCl, VAPOR DIFFUSION, SITTING DROP, temperature 295K |