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 | 2002-05-10 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.286, 1.2809, 1.000 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 114.528, 114.528, 76.950 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.590 - 2.200 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.24500 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.044 | |
Number of reflections | 15589 | |
Completeness [%] | 99.0 | 99 |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | ammonium sulfate, DTT, sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |