8RPI
JanthE from Janthinobacterium sp. HH01, lactyl-ThDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-13 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 174.149, 118.539, 202.047 |
Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
Resolution | 85.690 - 2.710 |
R-factor | 0.1966 |
Rwork | 0.195 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.621 |
Data reduction software | XDS (Jan 10, 2022) |
Data scaling software | Aimless (0.7.7) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.690 | 2.756 |
High resolution limit [Å] | 2.709 | 2.709 |
Rmeas | 0.108 | 0.944 |
Number of reflections | 105972 | 5488 |
<I/σ(I)> | 12.9 | 2.2 |
Completeness [%] | 95.5 | 99 |
Redundancy | 7 | 7.2 |
CC(1/2) | 0.997 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Bis-Tris, Tris, Ammonium acetate, PEG 10000, Magnesium chloride, Thiamine diphosphate |