6C4V
1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 58.189, 58.189, 101.683 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.090 - 1.900 |
R-factor | 0.19478 |
Rwork | 0.193 |
R-free | 0.21731 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.237 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.062 | 0.720 |
Rmeas | 0.064 | 0.741 |
Rpim | 0.015 | 0.172 |
Number of reflections | 8588 | 408 |
<I/σ(I)> | 46.7 | 5.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 17.7 | 18.2 |
CC(1/2) | 0.924 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Protein: 9.0 mg/ml, 0.01M Tris pH 8.3; Screen: PEGs II (B2) 0.01M Zinc sulfate, 0.1M MES pH 6.5, 25% (w/v) PEG 550 MME |