3AIG
ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Detector technology | DIFFRACTOMETER |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 73.550, 73.550, 96.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.000 - 2.800 |
R-factor | 0.194 |
Rwork | 0.194 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | NATIVE ADAMALYSIN II (PDB ENTRY 1IAG) |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | ABSCORR/CCP4 |
Data scaling software | ABSCORR |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.630 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.120 | 0.320 * |
Total number of observations | 18531 * | |
Number of reflections | 8311 | 680 * |
<I/σ(I)> | 4.4 | |
Completeness [%] | 78.9 | 45.7 |
Redundancy | 2.2 | 1.7 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 5 * | Gomis-Ruth, F.X., (1993) Embo J., 12, 4151. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 1.8 (M) |