3K1R
Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU ULTRAX 18 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.603, 57.775, 59.505 |
| Unit cell angles | 90.00, 104.63, 90.00 |
Refinement procedure
| Resolution | 28.890 - 2.300 |
| R-factor | 0.21262 |
| Rwork | 0.210 |
| R-free | 0.25568 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | N-domain (PDB id:2KBQ) PDZ domain (PDB ID:1QAV) SAM domain (PDB ID 1KW4 and 1PK1) |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.955 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.800 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.086 | 0.086 |
| Total number of observations | 61880 | |
| Number of reflections | 16268 | |
| <I/σ(I)> | 10.9 | 10.9 |
| Completeness [%] | 93.0 | 93 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 0.2M CaAc2, 0.1M HEPES, pH 7.5, 18% (w/v) polyethylene glycol 10000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
