3NAN
SR Ca(2+)-ATPase in the HnE2 state complexed with a Thapsigargin derivative Boc-(phi)Tg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9802 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 71.330, 71.330, 589.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 3.100 |
Rwork | 0.242 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c8k |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.000 | 3.200 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.146 | 1.100 |
Number of reflections | 29261 | 2537 |
<I/σ(I)> | 14.35 | 2.4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.7 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 14% w/v PEG 2000 MME, 10% v/v glycerol, 0.1-0.2M MgSO4, 4% v/v tert-butanol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |