5NCQ
Structure of the (SR) Ca2+-ATPase bound to a Tetrahydrocarbazole and TNP-ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 125.620, 224.630, 57.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.158 - 3.000 |
R-factor | 0.2156 |
Rwork | 0.213 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2AGV (individual domains) |
RMSD bond length | 0.003 |
RMSD bond angle | 0.630 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (phenix.phaser) |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.160 | 3.300 |
High resolution limit [Å] | 3.000 | 3.000 |
Rpim | 0.099 | |
Number of reflections | 61971 | 15091 |
<I/σ(I)> | 15.1 | 2.2 |
Completeness [%] | 99.4 | 97.7 |
Redundancy | 20 | |
CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | glycerol, PEG6000, Na acetate pH 7.2, MPD, beta-OG |