4MZ0
Structure of a ketosynthase-acyltransferase di-domain from module CurL of the curacin A polyketide synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-07-13 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.265, 150.704, 236.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.990 - 2.800 |
R-factor | 0.1873 |
Rwork | 0.185 |
R-free | 0.23080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qo3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.220 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 61718 | |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 6.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 32% PEG 2000, 12% glycerol, 200mM calcium acetate, 100mM Bis-Tris propane pH6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |