4Y8E
PA3825-EAL Ca-Apo Structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 112.440, 59.820, 96.690 |
Unit cell angles | 90.00, 116.94, 90.00 |
Refinement procedure
Resolution | 40.210 - 1.610 |
R-factor | 0.18724 |
Rwork | 0.185 |
R-free | 0.22314 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y9m |
RMSD bond length | 0.023 |
RMSD bond angle | 2.118 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.100 | 1.650 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.024 | 0.413 |
Number of reflections | 68333 | |
<I/σ(I)> | 18.3 | 2.3 |
Completeness [%] | 97.4 | 96.4 |
Redundancy | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 277 | 6-11% iso-propanol, 0.1 M Mes pH 6.5, 0.1 M sodium acetate pH 4.5 and 0.2 M calcium acetate |