4ZYB
High resolution structure of M23 peptidase LytM with substrate analogue
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 | PIXEL |
| Collection date | 2013-11-24 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.917 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.988, 101.563, 77.763 |
| Unit cell angles | 90.00, 91.48, 90.00 |
Refinement procedure
| Resolution | 36.300 - 1.500 |
| R-factor | 0.1514 |
| Rwork | 0.150 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b0p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.067 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.121 | 0.706 |
| Number of reflections | 87629 | |
| <I/σ(I)> | 12 | 2.5 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 6.8 | 6.5 |
| CC(1/2) | 0.998 | 0.813 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.05 M HEPES-CsOH pH 7.5, 0.2 M calcium chloride and 25% polyethylene glycol 4000 |
