7DTQ
Apo Crystal Structure of Octaketide Synthase from A. arborescens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2015-09-24 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 131.901, 51.679, 131.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.600 - 1.750 |
R-factor | 0.2253 |
Rwork | 0.225 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2d3m |
RMSD bond length | 0.008 |
RMSD bond angle | 1.087 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.600 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 171608 | 171608 |
<I/σ(I)> | 2.11 | |
Completeness [%] | 95.3 | |
Redundancy | 3.1 | |
CC(1/2) | 0.850 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.2 M sodium potassium tartarate, 0.1M Bistris propane (pH 6.5) 20% PEG 3350 |