3QRC
The crystal structure of Ail, the attachment invasion locus protein of Yersinia pestis, in complex with the heparin analogue sucrose octasulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 91.382, 91.382, 47.496 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.928 - 1.852 |
| R-factor | 0.2045 |
| Rwork | 0.204 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qra |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.381 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.057 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 37771 | |
| <I/σ(I)> | 15.7 | 2.11 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 5.2 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3 | 298 | 30% PEG400, 0.2 M lithium sulfate, 0.1 M citric acid, pH 3.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
