9F40
Crystal structure of the NTD domain from S. cerevisia Niemann-Pick type C protein NCR1 with ergosterol bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9686 |
Spacegroup name | P 21 2 21 |
Unit cell lengths | 92.760, 109.580, 151.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.050 - 2.440 |
R-factor | 0.2159 |
Rwork | 0.214 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.660 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.180 | 2.590 |
High resolution limit [Å] | 2.440 | 2.440 |
Rmerge | 0.087 | 1.514 |
Rmeas | 0.094 | 1.628 |
Number of reflections | 58262 | 9257 |
<I/σ(I)> | 12.19 | |
Completeness [%] | 99.9 | |
Redundancy | 7.47 | |
CC(1/2) | 0.999 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 50mM ZnSO4, 42% PEG 200, 4% v/v acetonitrile and 100mM MES pH 6 |