Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Detector technology | CCD |
Collection date | 2004-11-22 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.959, 85.861, 102.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.800 - 2.100 |
R-factor | 0.18352 |
Rwork | 0.181 |
R-free | 0.22255 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.483 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.800 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.078 | 0.269 |
Number of reflections | 22884 | |
<I/σ(I)> | 18.5 | 3.7 |
Completeness [%] | 99.0 | 96.9 |
Redundancy | 4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | 25% PEG 3350, 0.2N NaCl, 0.1M bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |