4YCM
Crystal structure of the calcium pump with bound marine macrolide BLS
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 | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 71.666, 71.666, 585.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.971 - 3.200 |
R-factor | 0.2162 |
Rwork | 0.215 |
R-free | 0.25980 |
RMSD bond length | 0.001 |
RMSD bond angle | 0.433 |
Data reduction software | DENZO |
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] | 3.200 |
Number of reflections | 26767 |
<I/σ(I)> | 13.1 |
Completeness [%] | 99.4 |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICRODIALYSIS | 283 | 0.17% C12E8, 0.7 mg ml-1 phosphatidylcholine (PC), 1 mM MgCl2, 16% glycerol, 0.2 mM BLS, and 3 mM O,O'-bis(2-aminoethyl)ethyleneglycol-N,N,N',N'-tetraacetic acid (EGTA) was dialyzed against a buffer con-sisting of 25% glycerol, 9% PEG2000, 1 mM MgCl2, 25 mM MgSO4, 2.5 mM NaN3, 2 mg ml-1 butylhy-droxytoluene (BHT), 0.2 mM dithiothreitol (DTT), 1 mM EGTA, and 20 mM MES |