4UPU
Crystal structure of IP3 3-K calmodulin binding region in complex with Calmodulin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 4 3 2 |
| Unit cell lengths | 159.480, 159.480, 159.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.650 - 2.340 |
| R-factor | 0.18916 |
| Rwork | 0.188 |
| R-free | 0.21041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vay |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.451 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.740 | 2.460 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 14994 | |
| <I/σ(I)> | 5.91 | 2.06 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 12.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | 29% W/V POLYETHYLENE GLYCOL 4000, 0.2 M (NH4)2SO4, 0.1 M SODIUM ACETATE TRIHYDRATE PH 4.0 AND 10 MM SPERMIDINE |
