2O9J
Crystal structure of calcium atpase with bound magnesium fluoride and cyclopiazonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-19 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 175.383, 69.875, 143.411 |
Unit cell angles | 90.00, 107.10, 90.00 |
Refinement procedure
Resolution | 29.100 - 2.650 |
R-factor | 0.248 |
Rwork | 0.246 |
R-free | 0.28700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wpg |
RMSD bond length | 0.006 |
RMSD bond angle | 1.280 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.063 | 0.511 |
Number of reflections | 48660 | |
<I/σ(I)> | 15 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 284 | 8% PEG 3350, 21% glycerol, 20mM MgCl2, 0.1mM EGTA, 20 mM MES, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 284K |