4YCN
Crystal structure of the calcium pump with bound marine macrolide BLLB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-19 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 71.540, 71.540, 587.669 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.997 - 3.500 |
R-factor | 0.2114 |
Rwork | 0.210 |
R-free | 0.24690 |
RMSD bond length | 0.001 |
RMSD bond angle | 0.406 |
Data scaling software | DENZO |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 3.500 |
Number of reflections | 206048 |
<I/σ(I)> | 15.5 |
Completeness [%] | 99.2 |
Redundancy | 14 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 283 | 0.07% C12E8, 0.5 mg ml-1 phosphatidylcholine (PC), 1 mM MgCl2, 18% glycerol, 0.05 mM BLLB, and 2 mM EGTA, 10 mM MOPS, 10 mM MES, The reservoir consisted of 16% glycerol, 14% PEG3350, 1 mM MgCl2, 200 mM MgSO4, 1 mM EGTA |