8H41

Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.916, 92.310, 128.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.930 - 1.780
R-factor	0.1671
Rwork	0.166
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jqw
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.093	0.038	0.596
Rmeas	0.102	0.042	0.652
Rpim	0.041	0.017	0.261
Total number of observations	382838
Number of reflections	64395	6861	6204
<I/σ(I)>	12.9
Completeness [%]	96.1	97.3	93.9
Redundancy	5.9	6	6
CC(1/2)		0.998	0.739

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	25% w/v Poly(acrylic acid sodium salt) 5100, 0.02 M MgCl2, 0.1 M HEPES pH 7.5, 10% glycerol