Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.90590, 0.964, 0.9788, 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.324, 80.292, 50.419 |
Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
Resolution | 33.890 - 1.700 |
R-factor | 0.219 |
Rwork | 0.190 |
R-free | 0.21900 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.890 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 58881 | |
<I/σ(I)> | 7.2 | 3.9 |
Completeness [%] | 92.4 | 94.1 |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | Na acetate, LiCl, ammonium sulphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |