1BH6
SUBTILISIN DY IN COMPLEX WITH THE SYNTHETIC INHIBITOR N-BENZYLOXYCARBONYL-ALA-PRO-PHE-CHLOROMETHYL KETONE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 278 |
| Detector technology | IMAGE PLATE |
| Collection date | 1993-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.830, 72.750, 59.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.750 |
| R-factor | 0.14 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cse |
| RMSD bond length | 0.022 |
| RMSD bond angle | 0.041 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CCP4 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.030 | 0.052 |
| Total number of observations | 101587 * | |
| Number of reflections | 22887 | |
| <I/σ(I)> | 23 | 14 |
| Completeness [%] | 96.7 | 92.2 |
| Redundancy | 4.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 16 * | AS GIVEN IN REFERENCE 1, pH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 4 (%) | |
| 3 | 1 | drop | 0.33 (M) | ||
| 4 | 1 | drop | 1.5 (mM) | ||
| 5 | 1 | drop | sodium citrate | 18 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 10 (%) | |
| 7 | 1 | reservoir | 1 (M) | ||
| 8 | 1 | reservoir | 5 (mM) | ||
| 9 | 1 | reservoir | sodium citrate | 50 (mM) |
