4NDD
X-ray structure of a double mutant of calexcitin - a neuronal calcium-signalling protein
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 | 2012-05-03 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.806, 69.387, 133.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.800 - 2.900 |
| R-factor | 0.17767 |
| Rwork | 0.171 |
| R-free | 0.28290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ccm |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.578 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.950 | 3.100 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.094 | 0.530 |
| Number of reflections | 9969 | |
| <I/σ(I)> | 13.9 | 3.9 |
| Completeness [%] | 98.4 | 99.5 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 15-40% w/v PEG 4000, 100 mM sodium citrate, 200 mM ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
