Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2003-11-20 |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.769, 94.334, 115.572 |
Unit cell angles | 90.00, 103.66, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
R-factor | 0.23715 |
Rwork | 0.235 |
R-free | 0.27737 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.528 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.509 | 2.900 |
High resolution limit [Å] | 2.787 | 2.800 |
Number of reflections | 28179 | |
Completeness [%] | 69.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | PEG 6000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |