6C4Q
1.16 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1-100) 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 43 21 2 |
Unit cell lengths | 51.889, 51.889, 74.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.130 - 1.160 |
R-factor | 0.13029 |
Rwork | 0.130 |
R-free | 0.14456 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.392 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.180 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.092 | 0.808 |
Rmeas | 0.096 | 0.855 |
Rpim | 0.028 | 0.276 |
Number of reflections | 35889 | 1749 |
<I/σ(I)> | 37.4 | 2.8 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.5 | 9.4 |
CC(1/2) | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | Protein: 10.4 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: AmSO4 (H8) 3.0M Ammonium sulfate, 1% (w/v) MPD. Cryo: Screen + 25% Ethylene Glycol |