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) | 0.96112 |
Spacegroup name | P 61 |
Unit cell lengths | 60.172, 60.172, 82.467 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.300 - 2.900 |
R-factor | 0.243 |
Rwork | 0.238 |
R-free | 0.29700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3etw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.197 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.300 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.088 | 0.453 |
Number of reflections | 3801 | |
<I/σ(I)> | 2 | |
Completeness [%] | 99.5 | 32.3 |
Redundancy | 3.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.1M Sodium citrate pH 7.0, 0.5M potassium thiocyanate, and 5% dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 295K |