2IMQ
Crystal structure of ferrous cimex nitrophorin
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 | 2005-02-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.107, 41.491, 65.380 |
Unit cell angles | 90.00, 95.40, 90.00 |
Refinement procedure
Resolution | 28.350 - 1.300 |
R-factor | 0.17753 |
Rwork | 0.176 |
R-free | 0.20844 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ntf |
RMSD bond length | 0.019 |
RMSD bond angle | 1.754 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.400 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.067 | 0.330 |
Number of reflections | 64243 | |
<I/σ(I)> | 17.6 | 2.4 |
Completeness [%] | 99.3 | 99.8 |
Redundancy | 7.8 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 23% PEG 4000, 100 mM Tris HCl, 200 mM lithium sulfate, 15% ethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |