5JY9
An iron-bound structure of the salicylate synthase Irp9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.739 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.392, 145.351, 58.437 |
| Unit cell angles | 90.00, 108.02, 90.00 |
Refinement procedure
| Resolution | 36.519 - 2.162 |
| R-factor | 0.1751 |
| Rwork | 0.172 |
| R-free | 0.23480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fn1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.214 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.120 | 2.230 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Rmerge | 0.729 | |
| Number of reflections | 47172 | |
| <I/σ(I)> | 18.3 | 3 |
| Completeness [%] | 98.9 | 88.1 |
| Redundancy | 13.6 | 9.4 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 0.1 M MES pH 6.5, 14% PEG 8 000, 0.25 M magnesium acetate |
