1SI6
Crystal structure of cimex nitrophorin complex with CO
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 | 2003-12-14 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.155, 41.566, 65.388 |
Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.450 |
R-factor | 0.20551 |
Rwork | 0.203 |
R-free | 0.25687 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ntf |
RMSD bond length | 0.020 |
RMSD bond angle | 1.795 |
Data reduction software | XDISPLAYF |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.073 | 0.270 |
Number of reflections | 44739 | |
<I/σ(I)> | 10.4 | 1.6 |
Completeness [%] | 96.7 | 99.9 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | PEG 4000, Li2SO4, ethanol, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |