7Z25
TRYPSIN (BOVINE) COMPLEXED WITH compound 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.294, 58.845, 66.575 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.380 - 1.350 |
| R-factor | 0.1457 |
| Rwork | 0.144 |
| R-free | 0.17380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | public |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.350 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.380 | 28.380 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.043 | 0.209 |
| Number of reflections | 40446 | 40446 |
| <I/σ(I)> | 22.27 | 6.67 |
| Completeness [%] | 85.0 | 85 |
| Redundancy | 4.31 | 4.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 25% PEG3350, 0.2 M LISO4, 100 MM HEPES |
