4QSH
Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-24 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.778, 153.296, 221.240 |
| Unit cell angles | 90.00, 101.58, 90.00 |
Refinement procedure
| Resolution | 49.800 - 2.510 |
| R-factor | 0.1965 |
| Rwork | 0.195 |
| R-free | 0.23336 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bg5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.674 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.072 | 0.380 |
| Number of reflections | 209169 | |
| <I/σ(I)> | 15.9 | 3.3 |
| Completeness [%] | 97.1 | 87.3 |
| Redundancy | 3.9 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 19% PEG 3350, 0.2M Ammonium Citrate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
