7UAU

The crystal structure of the K137A 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	2021-03-01
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	124.802, 124.802, 82.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.486 - 2.100
R-factor	0.1966
Rwork	0.195
R-free	0.22870
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]	28.490	28.490	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.073	0.016	0.579
Rmeas	0.076	0.017	0.599
Rpim	0.019	0.004	0.151
Total number of observations	293723	3832	24142
Number of reflections	19262	287	1559
<I/σ(I)>	31.7	100.6	5.7
Completeness [%]	100.0	97.2	100
Redundancy	15.2	13.4	15.5
CC(1/2)	1.000	1.000	0.951

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	1.5M Ammonium sulfate, 0.1M Tris, pH 8.5, 12% glycerol