7Z2I
TRYPSIN (BOVINE) COMPLEXED WITH compound 4
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 | 2009-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.552, 58.299, 66.855 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.430 - 1.090 |
| R-factor | 0.1356 |
| Rwork | 0.135 |
| R-free | 0.15000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | inhouse structure |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.225 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.430 | 33.430 |
| High resolution limit [Å] | 1.090 | 1.090 |
| Rmerge | 0.044 | 0.210 |
| Rmeas | 0.049 | 0.029 |
| Total number of observations | 416162 | |
| Number of reflections | 80517 | 619 |
| <I/σ(I)> | 21.96 | 5.01 |
| Completeness [%] | 90.0 | 47.3 |
| Redundancy | 5.17 | 2.51 |
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 PH 7.5 |
