9LP6

Crystal structure of phenolic acid decarboxylase Mav Pad (Mycobacterium avium)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 61 2 2
Unit cell lengths	66.373, 66.373, 474.856
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.870 - 1.910
R-factor	0.2285
Rwork	0.227
R-free	0.26730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.470	2.010
High resolution limit [Å]	1.910	1.910
Number of reflections	50601	50601
<I/σ(I)>	7.2
Completeness [%]	99.9
Redundancy	18.6
CC(1/2)	0.977	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289.15	1.6M Ammonium sulfate 0.1M MES momohydrate pH 6.5 10% v/v 1,4-Dioxane