1QJI
Structure of astacin with a transition-state analogue inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 289 |
Detector technology | AREA DETECTOR |
Collection date | 1994-06-15 |
Detector | BRUKER NONIUS FAST |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 61.170, 61.170, 99.560 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 8.000 - 2.140 |
R-factor | 0.164 |
Rwork | 0.164 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ast |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | MADNESS |
Data scaling software | PROTEIN |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 8.000 | 2.190 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.109 | |
Total number of observations | 39277 * | |
Number of reflections | 12071 | |
Completeness [%] | 77.6 | 30.4 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 4 * | Gomiz-Ruth, F.-W., (1993) J. Mol. Biol., 229, 945. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 0.3-0.6 (mM) | |
2 | 1 | drop | ammonium sulfate | 1.1 (M) | |
3 | 1 | drop | phosphate | 0.1 (M) | pH7.0 |
4 | 1 | reservoir | ammonium sulfate | 1 (M) |