3CNQ
Prosubtilisin Substrate Complex of Subtilisin SUBT_BACAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-01 |
| Detector | ADSC |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.195, 72.941, 93.112 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.710 |
| R-factor | 0.193 |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.506 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.770 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.069 | 0.293 |
| Number of reflections | 32590 | |
| <I/σ(I)> | 17 | |
| Completeness [%] | 99.7 | 99.4 |
| Redundancy | 5.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 18% PEG8K, 0.2 M Zn Acetate, 0.1 M Na Cacodylate, pH 6.5, vapor diffusion, temperature 298K |
