7D41
Crystal structure of type III polyketide synthase from Mycobacterium marinum - P 21 21 21 Space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97735 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.732, 99.518, 126.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.264 - 2.419 |
Rwork | 0.204 |
R-free | 0.25820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cb3 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.339 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0266) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.264 | 2.685 |
High resolution limit [Å] | 2.419 | 2.419 |
Rmerge | 0.107 | 0.618 |
Rmeas | 0.117 | 0.752 |
Rpim | 0.046 | 0.419 |
Number of reflections | 19645 | 983 |
<I/σ(I)> | 9.4 | 1.4 |
Completeness [%] | 92.1 | 57 |
Redundancy | 6.2 | 2.9 |
CC(1/2) | 0.997 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1 M Potassium Sodium tartrate 200 mM Sodium chloride 100 mM Imidazole; pH 8.0 |