Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97940 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.308, 54.231, 58.613 |
Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.21339 |
Rwork | 0.211 |
R-free | 0.25583 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.407 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.072 | 0.192 |
Number of reflections | 18186 | |
<I/σ(I)> | 40.9 | 6.56 |
Completeness [%] | 97.3 | 88 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | 20% PEG 10K, 0.1M MES PH 6, VAPOR DIFFUSION, SITTING DROP, temperature 290K |