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 |