1XLR
CHORISMATE LYASE WITH INHIBITOR VANILLATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 2001-05-15 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.270, 65.190, 72.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.980 - 1.940 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.200 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.050 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.061 | 0.200 |
| Number of reflections | 10973 | |
| <I/σ(I)> | 12.3 | 2.9 |
| Completeness [%] | 92.0 | 74 |
| Redundancy | 5.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 25% PEG 4000, 80 mM Hepes, 5%(v/v) isopropanol, 20mM vanillate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
