3BA6
Structure of the Ca2E1P phosphoenzyme intermediate of the SERCA Ca2+-ATPase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0723 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.510, 75.967, 152.407 |
| Unit cell angles | 90.00, 109.01, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.800 |
| Rwork | 0.210 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t5s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.263 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.070 | 0.509 |
| Number of reflections | 41562 | |
| <I/σ(I)> | 21 | 2 |
| Completeness [%] | 94.8 | 71.7 |
| Redundancy | 5.7 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 292 | 6% PEG6000, 200mM sodium acetate, 15% glycerol, 4% tert-butanol, 5mM b-mercaptoethanol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
