2AIM
CRUZAIN INHIBITED WITH BENZOYL-ARGININE-ALANINE-FLUOROMETHYLKETONE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 298 |
Detector technology | AREA DETECTOR |
Collection date | 1994-07 |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.160, 51.600, 45.200 |
Unit cell angles | 90.00, 115.20, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.200 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CRUZAIN |
RMSD bond length | 0.011 |
RMSD bond angle | 25.500 * |
Data reduction software | UCSD (SOFTWARE) |
Data scaling software | UCSD |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.350 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.085 | 0.178 |
Number of reflections | 8106 | |
<I/σ(I)> | 6 | 2 |
Completeness [%] | 90.0 | 82 |
Redundancy | 2.54 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5 | 18 * | 0.9 M NACITRATE, PH 5.0. CRYSTALS WERE PRODUCED BY MICROSEEDING HANGING DROPS, vapor diffusion -hanging drop -microseeding |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | sodium citrate | 0.7-1.0 (M) | |
2 | 1 | drop | cruzain | 13-18 (mg/ml) |