26TB

Crystal structure of 4-Amino-4-deoxychorismate lyase from Micromonospora aurantiaca ATCC 27029 (holo form) in complex with chorismate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-27
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.54184
Spacegroup name	C 2 2 21
Unit cell lengths	84.741, 88.900, 70.333
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.890 - 1.850
R-factor	0.16697
Rwork	0.165
R-free	0.21037
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.731
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.890	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.182	0.799
Rmeas	0.191	0.857
Rpim	0.059	0.299
Total number of observations	232318	10401
Number of reflections	22873	1335
<I/σ(I)>	12.7	2.5
Completeness [%]	99.4
Redundancy	10.2	7.8
CC(1/2)	0.995	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	288	100 mM HEPES buffer, pH 7.0, 10 mM MgCl2, 5 mM NiCl2, 20% (v/v) PEG3350