3T95
Crystal structure of LsrB from Yersinia pestis complexed with autoinducer-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-25 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.613, 61.033, 125.231 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.749 - 1.750 |
| R-factor | 0.18176 |
| Rwork | 0.180 |
| R-free | 0.21280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tjy |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.361 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.620 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.049 | 0.261 |
| Number of reflections | 31947 | |
| <I/σ(I)> | 23.3 | 6.5 |
| Completeness [%] | 98.9 | 93.7 |
| Redundancy | 6.5 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | Qiagen PEG Suite condition number 92: 20% PEG3350, 200 mM di-ammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
