6ZGR
Crystal structure of a MFS transporter with bound 1-hydroxynaphthalene-2-carboxylic acid at 2.67 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 | 2018-09-24 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 103.553, 199.572, 62.468 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.983 - 2.460 |
R-factor | 0.2226 |
Rwork | 0.221 |
R-free | 0.25500 |
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] | 47.140 | 47.140 | 2.590 |
High resolution limit [Å] | 2.460 | 7.780 | 2.460 |
Rmerge | 0.143 | 0.061 | |
Rmeas | 0.145 | 0.062 | 281.735 |
Rpim | 0.022 | 0.010 | 39.476 |
Total number of observations | 2295711 | ||
Number of reflections | 47962 | 1682 | 6896 |
<I/σ(I)> | 22 | ||
Completeness [%] | 100.0 | 99.6 | 99.9 |
Redundancy | 47.9 | 35.6 | 49.3 |
CC(1/2) | 0.999 | 0.999 | 0.196 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | zinc bromide, HEPES, jeffamine ED-2003 |