6D8I
Mycobacterium tuberculosis polyketide synthase 13 N-terminal acyl carrier protein domain
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 | PIXEL |
Collection date | 2014-03-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 51.646, 51.646, 75.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.556 - 1.650 |
R-factor | 0.1657 |
Rwork | 0.164 |
R-free | 0.17970 |
Structure solution method | SAD |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.13rc1_2954) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.680 |
High resolution limit [Å] | 1.650 | 4.480 | 1.650 |
Rmerge | 0.133 | 0.092 | 0.725 |
Rmeas | 0.138 | 0.096 | 0.751 |
Rpim | 0.036 | 0.026 | 0.198 |
Total number of observations | 181018 | ||
Number of reflections | 12903 | 757 | 626 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 14 | 12.2 | 14.1 |
CC(1/2) | 0.998 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.2 M calcium acetate, 0.1 M sodium cacodylate, 18-24% PEG8000 |