2FN0
Crystal structure of Yersinia enterocolitica salicylate synthase (Irp9)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.740, 145.671, 58.807 |
| Unit cell angles | 90.00, 107.97, 90.00 |
Refinement procedure
| Resolution | 28.170 - 1.850 |
| R-factor | 0.18988 |
| Rwork | 0.187 |
| R-free | 0.24035 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | composite search probe from 1QDL 1I7Q and 1I1Q |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.506 |
| Data reduction software | X-GEN |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.048 | 0.306 |
| Number of reflections | 72593 | |
| <I/σ(I)> | 16.1 | |
| Completeness [%] | 93.9 | 87.5 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.2M magnesium acetate tetrahydrate, 0.1M sodium cacodylate, 20% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
