5XTW
Crystal structure of the CysR-CTLD2 fragment of human MR at acidic pH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2017-05-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 43.819, 164.768, 164.596 |
Unit cell angles | 91.11, 97.56, 97.50 |
Refinement procedure
Resolution | 27.942 - 3.200 |
R-factor | 0.2118 |
Rwork | 0.211 |
R-free | 0.24790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xts |
RMSD bond length | 0.002 |
RMSD bond angle | 0.518 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.942 | 3.260 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.141 | 0.382 |
Number of reflections | 72181 | |
<I/σ(I)> | 7.8 | 2.091 |
Completeness [%] | 96.1 | 96.1 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291.15 | 6% (v/v) tacsimate (pH 6.0), 0.1M MES monohydrate (pH 6.0), 25% (w/v) polyethylene glycol 4,000 |