3Q10
Pantoate-beta-alanine ligase from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 44.809, 77.241, 98.462 |
| Unit cell angles | 101.33, 94.91, 94.37 |
Refinement procedure
| Resolution | 33.100 - 1.830 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.21080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iho |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.593 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 33.100 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.830 | 4.970 | 1.830 |
| Rmerge | 0.044 | 0.020 | 0.458 |
| Number of reflections | 109573 | ||
| <I/σ(I)> | 11.6 | 2.08 | |
| Completeness [%] | 96.8 | 97.6 | 94.4 |
| Redundancy | 2.6 | 2.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M Bis-Tris, 25% PEG-3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
