6BB9
The crystal structure of 4-amino-4-deoxychorismate lyase from Salmonella typhimurium LT2
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 | 2010-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 87.250, 87.250, 308.949 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.983 - 2.282 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.22740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 1I2L |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.778 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.000 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.075 | 0.831 |
| Rmeas | 0.080 | 0.887 |
| Rpim | 0.028 | 0.307 |
| Number of reflections | 32870 | 1584 |
| <I/σ(I)> | 37.6 | 3.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.1 | 8.3 |
| CC(1/2) | 0.860 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M proline, 0.1 M HEPES, 10% w/v PEG3350 |
