1YU6
Crystal Structure of the Subtilisin Carlsberg:OMTKY3 Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.256, 100.971, 115.785 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.540 - 1.550 |
| R-factor | 0.19199 |
| Rwork | 0.191 |
| R-free | 0.20518 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1VSB and 1CHO |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.598 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.540 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.102 | 0.422 |
| Number of reflections | 88530 | |
| <I/σ(I)> | 14.7 | 3.21 |
| Completeness [%] | 95.4 | 77.3 |
| Redundancy | 6.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | 10% ethylene glycol, 480 mM sodium malate, 75 mM sodium citrate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
