Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-19 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.05 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 135.490, 301.057, 144.453 |
Unit cell angles | 90.00, 112.78, 90.00 |
Refinement procedure
Resolution | 15.000 - 3.000 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.24500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ryp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.040 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.101 | 0.436 |
Number of reflections | 209872 | |
Completeness [%] | 99.2 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 20% MPD, 0.1M MES, 30mM MgAc2, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |