8HD4
Full-length crystal structure of mycobacterium tuberculosis FadD23 in complex with AMPC16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 73.582, 73.582, 462.593 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.870 - 2.680 |
R-factor | 0.2157 |
Rwork | 0.214 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e53 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.870 | 2.850 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.104 | 0.429 |
Rmeas | 0.110 | 0.454 |
Total number of observations | 388631 | |
Number of reflections | 22247 | 6305 |
<I/σ(I)> | 13.7 | 2.22 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 9.895 | 9.349 |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 140 mM sodium citrate tribasic dihydrate, 60 mM magnesium chloride hexahydrate, 30 mM tris hydrochloride pH 8.5, 14% (w/v) polyethylene glycol 3350, and 9% (w/v) polyethylene glycol 4000 |