7CFK
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with the novel inhibitor IGN95a
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 | 2020-06-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97092 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.015, 60.513, 82.256 |
Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
Resolution | 45.410 - 2.900 |
R-factor | 0.2165 |
Rwork | 0.210 |
R-free | 0.27590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7cfi |
RMSD bond length | 0.010 |
RMSD bond angle | 1.331 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.410 | 3.080 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 19225 | 1164 |
<I/σ(I)> | 9.28 | |
Completeness [%] | 99.6 | |
Redundancy | 6.8 | |
CC(1/2) | 0.997 | 0.524 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 291 | 0.1 M KCl, 0.1 M MES pH 6.0, 32% w/v PEG 400 |