Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F2 |
Synchrotron site | CHESS |
Beamline | F2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-23 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9790, 1.604 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 46.354, 46.354, 174.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.620 - 1.600 |
R-factor | 0.262 |
Rwork | 0.262 |
R-free | 0.28100 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (AUTOSOL) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.620 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 21120 | |
<I/σ(I)> | 15.4 | 1.26 |
Completeness [%] | 80.0 | 18.5 |
Redundancy | 4.1 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 294 | 1.2M AMMONIUM SULFATE, 0.01 M CO(II) CL2, 0.1M MES 6.5 ADDITIVE 2M SODIUM THIOCYANATE MIXED ABOVE COMPONENTS WITH EQUAL VOLUME OF PROTEIN, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |