8I7U

Crystal structure of alpha-Oxoamine Synthase Alb29 with PLP cofactor

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	2022-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 2 21 21
Unit cell lengths	65.465, 110.462, 353.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.180 - 2.490
R-factor	0.1995
Rwork	0.197
R-free	0.25140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	xia2
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (7.1.018)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.580
High resolution limit [Å]	2.490	6.890	2.490
Rmerge	0.087	0.041	0.634
Rmeas	0.094		0.701
Rpim	0.035		0.292
Number of reflections	89611	7651	8873
<I/σ(I)>	14.47		2.5
Completeness [%]	98.0	98.4	98.72
Redundancy	6.9	2.8	5.5
CC(1/2)	0.999		0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		293.15	0.03M MgCl2, 0.03M CaCl2, 0.1M MES-Imidazole, pH 6.5, 20% Glycerol, 10%(w/v)PEG4000