8XHK

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	2022-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 2 21 21
Unit cell lengths	65.110, 110.590, 354.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.190 - 2.790
R-factor	0.2063
Rwork	0.203
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8i7u
RMSD bond length	0.002
RMSD bond angle	0.487
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.0.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.890
High resolution limit [Å]	2.790	2.790
Rmerge	0.095	0.997
Rmeas	0.099
Rpim	0.029	0.299
Number of reflections	62296	6367
<I/σ(I)>	18.78	2.82
Completeness [%]	99.5	99.58
Redundancy	11.8	11.8
CC(1/2)	0.990	0.906

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