5F6T
Structure of calexcitin-Gd3+ complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 43 |
| Unit cell lengths | 77.020, 77.020, 29.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.353 - 2.201 |
| R-factor | 0.2193 |
| Rwork | 0.215 |
| R-free | 0.30440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.058 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.300 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.137 | 1.390 |
| Number of reflections | 9020 | |
| <I/σ(I)> | 7.5 | 1.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2 M sodium acetate trihydrate, 0.1 M TRIS pH 8.5, 30 % PEG 4000. |
