6LQL

Complex structure of CHAO with product from Erythrobacteraceae bacterium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 43 21 2
Unit cell lengths	83.205, 83.205, 176.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.030 - 1.800
R-factor	0.1703
Rwork	0.169
R-free	0.18780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i59
RMSD bond length	0.008
RMSD bond angle	0.962
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.092	0.686
Rpim	0.028	0.179
Number of reflections	58605	2866
<I/σ(I)>	35	3.5
Completeness [%]	100.0
Redundancy	25.9
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0 % PEG 8000,100 mM Potassium phosphate monobasic/ Sodium phosphate dibasic pH 6.0