Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0714 |
Spacegroup name | P 64 |
Unit cell lengths | 103.125, 103.125, 31.014 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.900 |
R-factor | 0.195 |
Rwork | 0.192 |
R-free | 0.22620 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.820 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 34549 | |
<I/σ(I)> | 10.35 | 1 |
Completeness [%] | 94.1 | 67.8 |
Redundancy | 3.7 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 298 | precipitant solution: NaSCN, Peg3350, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |