2OQU
High Pressure Cryocooling of Capillary Sample Cryoprotection and Diffraction Phasing at Long Wavelengths
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2006-02-19 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.153, 58.166, 74.658 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.950 - 1.800 |
R-factor | 0.18023 |
Rwork | 0.178 |
R-free | 0.22624 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1c1m |
RMSD bond length | 0.014 |
RMSD bond angle | 1.387 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 19291 | |
<I/σ(I)> | 19.5 | 4.6 |
Completeness [%] | 97.7 | 94.8 |
Redundancy | 7.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 30mM sodium sulfate, 50mM sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |