1QXP
Crystal Structure of a mu-like calpain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-05-20 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.916117 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.738, 184.596, 86.370 |
Unit cell angles | 90.00, 100.74, 90.00 |
Refinement procedure
Resolution | 50.000 * - 2.800 |
R-factor | 0.23294 |
Rwork | 0.229 |
R-free | 0.31000 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.400 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.800 * | 2.700 |
Rmerge | 0.057 * | 0.279 * |
Total number of observations | 110989 * | |
Number of reflections | 50920 * | |
Completeness [%] | 91.1 | 82.3 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.6 * | 295 | PEG 6000,morpholino ethane sulfonic acid, sodium chloride, n-nonyl-beta-D-maltoside , pH 6.25, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10-15 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 50 (mM) | pH7.6 |
3 | 1 | drop | 100 (mM) | ||
4 | 1 | drop | EDTA | 0.2 (mM) | |
5 | 1 | drop | dithiothreitol | 10 (mM) | |
6 | 1 | reservoir | PEG6000 | 8 (%) | |
7 | 1 | reservoir | MES | 100 (mM) | pH6.25 |
8 | 1 | reservoir | 50 (mM) | ||
9 | 1 | reservoir | n-nonyl-beta-D-maltoside | 6.0 (mM) |