Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-11-18 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.9791, 0.9794, 0.9500 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.914, 73.773, 48.185 |
Unit cell angles | 90.00, 114.73, 90.00 |
Refinement procedure
Resolution | 19.940 - 2.200 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25000 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.045 | 0.081 |
Number of reflections | 38629 | |
<I/σ(I)> | 20.2 | |
Completeness [%] | 90.1 | 67.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | PEG 4000, sodium acetate, Tris-HCL, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |