5INF
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9998 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 110.072, 165.453, 190.261 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.218 - 2.751 |
R-factor | 0.1855 |
Rwork | 0.184 |
R-free | 0.24390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ing |
RMSD bond length | 0.013 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.850 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.208 | 0.837 |
Number of reflections | 90300 | |
<I/σ(I)> | 14.4 | 3.5 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 26-32% PEG MME, 0.2 M ammonium sulfate, and 0.1 M MES pH 6.5 -7.0 |