1CA8
Thrombin inhibitors with rigid tripeptidyl aldehydes
Experimental procedure
Temperature [K] | 300 |
Detector technology | IMAGE PLATE |
Collection date | 1995-08 |
Detector | RIGAKU |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.130, 72.120, 73.140 |
Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.100 |
R-factor | 0.157 * |
Rwork | 0.157 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tmb |
RMSD bond length | 0.012 * |
RMSD bond angle | 0.042 * |
Data reduction software | R-AXIS (II) |
Data scaling software | R-AXIS (II) |
Phasing software | X-PLOR |
Refinement software | PROLSQ |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.300 | |
High resolution limit [Å] | 2.100 * | 2.100 |
Rmerge | 0.052 | 0.090 |
Total number of observations | 26856 * | |
Number of reflections | 18157 | |
<I/σ(I)> | 14.4 | 2.5 |
Completeness [%] | 79.0 * | 74 |
Redundancy | 1.5 * | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.5 | CRYSTALLIZED FROM 25% PEG 8K, 0.1M SOD, PHOSPHATE BUFFER PH 7.5, MACROSEEDED TO MAKE LARGER CRYSTALS |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG8000 | 28 (%) | |
2 | 1 | 1 | Tris | 0.1 (M) | |
3 | 1 | 1 | sodium acetate | 0.2 (M) | |
4 | 1 | 1 | 1 (mM) | ||
5 | 1 | 2 | protain | 15 (mM) |