7P5R
Racemic protein crystal structure of lacticin Q from Lactococcus lactis
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-16 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.8156 |
Spacegroup name | P 1 |
Unit cell lengths | 24.210, 27.830, 70.450 |
Unit cell angles | 95.03, 90.43, 115.41 |
Refinement procedure
Resolution | 35.050 - 0.960 |
Rwork | 0.182 |
R-free | 0.20530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Ideal helix fragments |
RMSD bond length | 0.011 |
RMSD bond angle | 1.817 |
Data reduction software | XDS |
Data scaling software | Aimless (1.11.21) |
Phasing software | Fragon (0.2.6) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.050 | 0.980 |
High resolution limit [Å] | 0.960 | 0.960 |
Number of reflections | 93924 | 4211 |
<I/σ(I)> | 11.3 | 1 |
Completeness [%] | 93.0 | 84.2 |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | A racemic mixture of L-lacticin Q and D-lacticin Q at 27 mg/mL concentration was mixed 1:1 with 4.0M sodium formate precipitant condition pH 7.0 in a 1 microlitre sitting drop. Crystals were submerged in 2.0M Lithium sulfate cryoprotectant and flash frozen in liquid nitrogen during harvesting. |