4LE7
The Crystal Structure of Pyocin L1 at 2.09 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-04 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97620 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.410, 158.400, 147.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.390 - 2.090 |
| R-factor | 0.18027 |
| Rwork | 0.178 |
| R-free | 0.22150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1msa |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.863 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.390 | 2.140 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.072 | |
| Number of reflections | 37131 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.0 | 99.8 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% v/v ethylene glycol, 10% w/v PEG 8000, 0.03 M CaCl2, 0.03 M MgCl2, 0.1 M Tris/Bicine, , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
