5JAY
Crystal Structure of an 8-amino-7-oxononanoate Synthase from Burkholderia xenovorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 171.870, 63.200, 65.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.406 - 1.750 |
R-factor | 0.1722 |
Rwork | 0.171 |
R-free | 0.20390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g6w |
RMSD bond length | 0.006 |
RMSD bond angle | 0.736 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 | |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.048 | 0.022 | 0.549 |
Number of reflections | 72463 | ||
<I/σ(I)> | 22.99 | 55.46 | 3.11 |
Completeness [%] | 99.9 | 96.4 | 100 |
Redundancy | 6.1 | ||
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | BuxeA.00096.b.B1.PS37838 at 22.85 mg/ml was mixed 1:1 with MCSG1(e9) 0.2 M calcium chloride, 20% (w/v) PEG-3350, cryoprotected with 20% ethylene glycol |