2BY4
SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT.
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 | 2004-12-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 71.739, 71.739, 593.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.300 |
| R-factor | 0.254 |
| Rwork | 0.254 |
| R-free | 0.31400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1iwo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.430 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.160 | 0.670 |
| Number of reflections | 20425 | |
| <I/σ(I)> | 7.4 | 1.7 |
| Completeness [%] | 82.0 | 62.3 |
| Redundancy | 5.2 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 6 MG/ML SERCA IN 6% PEG2000 MME, 100MM MGSO4, 3% MPD, 40 MM KCL, 50 MM MOPS PH 6.8, 10% GLYCEROL, 0.5 MM AMPPCP, 1 MM EGTA, 62.5 MICROM BOC-12ADT. |
