Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97932 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 175.134, 176.934, 509.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.730 - 3.100 |
R-factor | 0.1943 |
Rwork | 0.194 |
R-free | 0.24700 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.525 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.800 | 3.210 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.090 | 0.149 |
Number of reflections | 271071 | 19970 |
<I/σ(I)> | 30.9 | |
Completeness [%] | 94.7 | |
Redundancy | 3.3 | |
CC(1/2) | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 277 | 0.1M HEPES, pH 7.5, 0.2M NaCl and 16-20% PEG-3000 |