2QX0
Crystal Structure of Yersinia pestis HPPK (Ternary Complex)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-06-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.400, 78.620, 52.600 |
| Unit cell angles | 90.00, 100.72, 90.00 |
Refinement procedure
| Resolution | 28.900 - 1.800 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q0n |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.110 | 0.288 |
| Number of reflections | 30817 | |
| <I/σ(I)> | 11.6 | 2.8 |
| Completeness [%] | 95.7 | 89.8 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.18 M AMMONIUM ACETATE, 0.1 M SODIUM ACETATE, 30% (W/V) PEG 4000 AND 20 MM IMIDAZOLE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
