7UAT

The crystal structure of the K36A 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	2021-02-26
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	124.010, 124.010, 83.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.575 - 2.000
R-factor	0.1932
Rwork	0.191
R-free	0.23580
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]	28.575	28.570	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.050	0.016	0.528
Rmeas	0.053	0.016	0.555
Rpim	0.016	0.005	0.169
Total number of observations		2646	16991
Number of reflections	22247	285	1601
<I/σ(I)>	28	82.5	5.1
Completeness [%]	100.0	97	100
Redundancy	10.6	9.3	10.6
CC(1/2)	1.000	1.000	0.933

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