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 |
