7UB8

The crystal structure of the K38A/K137A/K233A/K234A quadruple mutant of E. coli YGGS in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-11
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	P 41 21 2
Unit cell lengths	129.646, 129.646, 76.911
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.105 - 2.300
R-factor	0.1886
Rwork	0.186
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w8g
Data reduction software	CrysalisPro (41.64.69a)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.460	29.460	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.088	0.031	0.387
Rmeas	0.091	0.032	0.402
Rpim	0.025	0.009	0.107
Total number of observations	396537	6964	39027
Number of reflections	29721	588	2863
<I/σ(I)>	22	46	7.7
Completeness [%]	100.0	97.4	100
Redundancy	13.3	11.8	13.6
CC(1/2)	0.999	0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	0.1M Sodium acetate, pH 4.5,20% butanediol