8RPH
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
This is a non-PDB format compatible entry.
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) | 0.68879 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 173.326, 118.189, 201.166 |
Unit cell angles | 90.00, 97.06, 90.00 |
Refinement procedure
Resolution | 99.820 - 2.960 |
R-factor | 0.2081 |
Rwork | 0.206 |
R-free | 0.24030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.820 | 3.014 |
High resolution limit [Å] | 2.960 | 2.960 |
Rmeas | 0.144 | 1.030 |
Number of reflections | 79335 | 4130 |
<I/σ(I)> | 11.3 | 2.1 |
Completeness [%] | 94.5 | |
Redundancy | 7 | 7.3 |
CC(1/2) | 0.996 | 0.701 |
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 |