Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 53.739, 53.739, 67.448 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.320 - 1.550 |
R-factor | 0.2 |
Rwork | 0.198 |
R-free | 0.23800 |
Structure solution method | MAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.044 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.320 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.051 | 0.606 |
Number of reflections | 16613 | |
<I/σ(I)> | 15 | |
Completeness [%] | 99.7 | 97.4 |
Redundancy | 10.3 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | PEG 4000, isopropanol, trisodium citrate dihydrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | PEG 4000, isopropanol, trisodium citrate dihydrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | PEG 4000, isopropanol, trisodium citrate dihydrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |