2C8K
Crystal Structure of (SR) Calcium-ATPase E2(Tg) with partially occupied AMPPCP site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-09-04 |
| Detector | MARRESEACH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.340, 71.340, 587.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.950 - 2.800 |
| R-factor | 0.252 |
| Rwork | 0.252 |
| R-free | 0.30800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwo |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.010 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.010 | 0.430 |
| Number of reflections | 36358 | |
| <I/σ(I)> | 17.1 | 3.6 |
| Completeness [%] | 92.5 | 75.6 |
| Redundancy | 5.7 | 3.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 50 MM NAOAC, 15% PEG 2000 MME, 10% GLYCEROL, 4% MPD, pH 6.80 |
