6AJH
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-06-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.967, 141.167, 144.214 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.484 - 2.818 |
R-factor | 0.2205 |
Rwork | 0.219 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ajf |
RMSD bond length | 0.004 |
RMSD bond angle | 1.039 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.095 | 0.031 | 0.956 |
Rmeas | 0.096 | 0.034 | |
Rpim | 0.042 | 0.014 | 0.433 |
Number of reflections | 43073 | 4542 | 4213 |
<I/σ(I)> | 7.7 | ||
Completeness [%] | 99.7 | 99.2 | 99.4 |
Redundancy | 5.9 | 5.8 | 5.7 |
CC(1/2) | 0.999 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10%-20% (v/v) polyethylene glycol monomethyl ether 350 (PEGMME 350), 50 mM ADA (N-(2-Acetamido) iminodiacetic acid) (pH 6.0-7.0), 7.5%-17.5% (v/v) polyethylene glycol 2000 (PEG 2000) |