8RPJ
JanthE from Janthinobacterium sp. HH01
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 | 2023-04-21 |
Detector | DECTRIS EIGER2 X CdTe 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 185.196, 105.169, 193.605 |
Unit cell angles | 90.00, 96.51, 90.00 |
Refinement procedure
Resolution | 68.160 - 1.900 |
R-factor | 0.155 |
Rwork | 0.153 |
R-free | 0.18580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.791 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX (1.20.1-4487) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.340 | 1.935 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.125 | |
Rmeas | 1.040 | |
Number of reflections | 286766 | 14248 |
<I/σ(I)> | 10 | 2 |
Completeness [%] | 99.3 | 99 |
Redundancy | 6.8 | 7 |
CC(1/2) | 0.994 | 0.710 |
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 |