2NQA
Catalytic Domain of Human Calpain 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 91.794, 91.794, 194.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.954 - 2.200 |
| R-factor | 0.2048 |
| Rwork | 0.205 |
| R-free | 0.26780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ary |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.456 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.119 | 0.812 |
| Number of reflections | 45317 | |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 96.3 | 98.6 |
| Redundancy | 4.7 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 2M NH4PO4, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
