2P4P
Crystal structure of a CorC_HlyC domain from Haemophilus ducreyi
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97932, 0.97943 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.552, 58.667, 87.434 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.740 - 1.800 |
R-factor | 0.21054 |
Rwork | 0.208 |
R-free | 0.26189 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.552 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | autoSHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.100 | 0.083 | 0.315 |
Number of reflections | 13730 | ||
<I/σ(I)> | 8.4 | ||
Completeness [%] | 92.9 | 98.6 | 61.9 |
Redundancy | 6.1 | 5.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.05M Calcium chloride, 0.1M Bis-Tris pH 6.5, 30% PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.05M Calcium chloride, 0.1M Bis-Tris pH 6.5, 30% PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K |