Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-08-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0094 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 217.200, 40.761, 75.460 |
Unit cell angles | 90.00, 95.80, 90.00 |
Refinement procedure
Resolution | 29.250 - 2.100 |
R-factor | 0.2155 |
Rwork | 0.213 |
R-free | 0.26600 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.050 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.550 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 37373 | |
<I/σ(I)> | 21.7 | 3.5 |
Completeness [%] | 94.5 | 84.3 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 298 | PEG 3350, SODIUM CHLORIDE, TRIS, PH 7.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |