4KI3
1.70 Angstrom resolution crystal structure of outer-membrane lipoprotein carrier protein (lolA) from Yersinia pestis CO92
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-02-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 67.201, 67.130, 132.563 |
| Unit cell angles | 94.30, 94.01, 120.01 |
Refinement procedure
| Resolution | 29.090 - 1.700 |
| R-factor | 0.20539 |
| Rwork | 0.204 |
| R-free | 0.23956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ksn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.657 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.091 | 0.598 |
| Number of reflections | 207123 | |
| <I/σ(I)> | 14.22 | 2.7 |
| Completeness [%] | 94.8 | 95.4 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | PEG 3350 20% w/v NH4 dihydrogen Phosphate 0.2M, protein at 34 mg/mL, cryo- 20% glycerol+paratone, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
