5LIF
Thermolysin in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 91.801, 91.801, 130.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.663 - 1.310 |
| R-factor | 0.1136 |
| Rwork | 0.113 |
| R-free | 0.13580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8tln |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.998 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.490 | |
| Number of reflections | 77996 | |
| <I/σ(I)> | 27.34 | 5.24 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 10.6 | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291.15 | 50 MM TRIS/HCL, 1.9 M CSCL, 50% DMSO |
