7UAX

The crystal structure of the K36A/K38A double 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	2021-08-04
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	123.841, 123.841, 83.291
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.190 - 2.070
R-factor	0.188
Rwork	0.186
R-free	0.23500
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]	29.190	29.190	2.130
High resolution limit [Å]	2.070	9.020	2.070
Rmerge	0.096	0.024	1.005
Rmeas	0.100	0.026	1.049
Rpim	0.028	0.008	0.300
Total number of observations	250602	2983	18603
Number of reflections	20017	278	1538
<I/σ(I)>	17.2	49.7	2.9
Completeness [%]	100.0	97	100
Redundancy	12.5	10.7	12.1
CC(1/2)	0.999	1.000	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES, pH 7.5, 0.8M NaH2PO4/0.8M KH2PO4