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 |