3FXE
Crystal structure of interacting domains of IcmR and IcmQ (seleno-derivative)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97950, 0.97976, 0.95003 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.090, 42.100, 78.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.23 |
Rwork | 0.230 |
R-free | 0.25000 |
Structure solution method | MAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.050 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.040 | 0.130 |
Number of reflections | 10087 | |
<I/σ(I)> | 23.9 | 18 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 7.7 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 295 | 100 mM Na acetate pH 4.7, 30% PEG 1500, 100 mM L-cysteine, VAPOR DIFFUSION, HANGING DROP, temperature 295K |