6ZGS
Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 102.146, 199.681, 61.608 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.969 - 2.151 |
R-factor | 0.2177 |
Rwork | 0.216 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6g9x |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3228) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.480 | 49.480 | 2.270 |
High resolution limit [Å] | 2.150 | 6.800 | 2.150 |
Rmerge | 0.092 | 0.040 | |
Rmeas | 0.095 | 0.042 | 41.690 |
Rpim | 0.022 | 0.010 | 9.351 |
Total number of observations | 1363607 | ||
Number of reflections | 69378 | 2417 | 9929 |
<I/σ(I)> | 19.1 | ||
Completeness [%] | 99.8 | 99.7 | 99.1 |
Redundancy | 19.7 | 15.6 | 19.4 |
CC(1/2) | 0.999 | 0.999 | 0.122 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | zinc bromide, HEPES, jeffamine ED-2003 |