3L92
Phosphopantetheine adenylyltransferase from Yersinia pestis complexed with coenzyme A.
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 | 2009-12-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 114.820, 114.820, 119.074 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.200 - 1.890 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h1t |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.866 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.065 | 0.836 |
| Number of reflections | 24323 | |
| <I/σ(I)> | 9.5 | 3.81 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 1 M tri-sodium citrate, 0.1 M sodium cacodylate, 0.01 M coenzyme A, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
