4LED
The Crystal Structure of Pyocin L1 bound to D-rhamnose at 2.37 Angstroms
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9788 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.990, 160.650, 150.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.930 - 2.370 |
R-factor | 0.21128 |
Rwork | 0.209 |
R-free | 0.25685 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4le7 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.686 |
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] | 54.930 | 2.430 |
High resolution limit [Å] | 2.370 | 2.370 |
Rmerge | 0.059 | 0.830 |
Number of reflections | 26242 | |
<I/σ(I)> | 19 | 2.1 |
Completeness [%] | 99.1 | 99.5 |
Redundancy | 4.4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20% PEG 550 MME, 20% PEG 20K, 0.03 M CaCl2, 0.03 M MgCl2 0.1 M MOPS/HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |