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 | 2006-12-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 137.680, 163.051, 152.755 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.340 - 2.800 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1suo |
RMSD bond length | 0.014 |
RMSD bond angle | 1.259 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.800 | 2.700 |
Rmerge | 0.138 | 0.049 | 0.809 |
Number of reflections | 47597 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 98.5 | 99.9 | 86.2 |
Redundancy | 7.1 | 6.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 291 | 1.1M Ammonium sulfate, 0.1M ADA, pH 6.5, VAPOR DIFFUSION, temperature 291K |