3V0H
Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), complexed with D-MYO-inositol-1,4,5-triphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.665, 79.852, 87.927 |
| Unit cell angles | 90.00, 92.44, 90.00 |
Refinement procedure
| Resolution | 87.850 - 1.850 |
| R-factor | 0.18279 |
| Rwork | 0.181 |
| R-free | 0.22229 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB: 3V0D |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.224 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.111 | 0.660 |
| Number of reflections | 59840 | |
| <I/σ(I)> | 17.2 | 3.4 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 17.5-22.5% PEG 2000, 0.1 M ammonium dihydrophosphate, 0.1 M Tris-HCl, pH 8.0; complex was made by soaking method, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
