7UB4

The crystal structure of the K36A/K38A/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	2021-11-16
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	124.814, 124.814, 83.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.443 - 2.400
R-factor	0.2079
Rwork	0.205
R-free	0.25980
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]	28.443	28.440	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.056	0.015	0.339
Rmeas	0.059	0.015	0.354
Rpim	0.018	0.005	0.103
Total number of observations		2814	15866
Number of reflections	13080	282	1360
<I/σ(I)>	33.7	98.2	8.5
Completeness [%]	99.5	96.8	100
Redundancy	11.3	10	11.7
CC(1/2)	0.999	1.000	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	0.1M Sodium citrate/citric acid, pH 4.0, 0.8M ammonium sulfate