8JC1
Crystal structure of Pectocin M1 from Pectobacterium carotovorum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-04-12 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.900 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.279, 138.553, 68.947 |
Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
Resolution | 49.490 - 2.040 |
R-factor | 0.1964 |
Rwork | 0.195 |
R-free | 0.23850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n58 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.847 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.490 | 2.170 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.077 | 0.530 |
Number of reflections | 77569 | 23492 |
<I/σ(I)> | 6.63 | 1.17 |
Completeness [%] | 95.5 | 87.8 |
Redundancy | 1.82 | |
CC(1/2) | 0.993 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293.15 | 0.1 M HEPES pH 7.5, 19.2% w/v poly(acrylic acid sodium salt) 5,100 |