Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-13 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 219.400, 219.400, 112.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.180 - 2.200 |
R-factor | 0.1911 |
Rwork | 0.191 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r2c |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.180 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.071 | 0.197 |
Number of reflections | 139391 | |
<I/σ(I)> | 17.2 | 4.3 |
Completeness [%] | 96.0 | 53.1 |
Redundancy | 4.9 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 296 | ammonium sulfate, ldao, 1,2,3-heptanetriol, sodium phosphate, triethylammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 296K, pH 6.00 |