1AVT
SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Experimental procedure
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Collection date | 1993-11 |
Detector | FUJI |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.000, 55.400, 76.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.157 |
Rwork | 0.157 |
R-free | 0.22600 |
Structure solution method | ISOSTRUCTURAL TO 1SCA |
Starting model (for MR) | 1sca |
RMSD bond length | 0.009 |
RMSD bond angle | 24.700 * |
Data reduction software | DENZO |
Data scaling software | XSCALE |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.082 | 0.083 |
Number of reflections | 15092 | |
<I/σ(I)> | 14 | 7 |
Completeness [%] | 96.0 | 94.3 |
Redundancy | 1.7 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 5.6 * | Petsko, G.A., (1976) J.Mol.Biol., 106, 453. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | protein | 0.5 (%) | |
2 | 1 | 1 | aqueous sodium sulfate | 17 (%) |