7U9C

Crystal Structure of the wild type Escherichia coli Pyridoxal 5'-phosphate homeostasis protein (YGGS)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-11
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	I 41 2 2
Unit cell lengths	124.188, 124.188, 83.122
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.271 - 2.100
R-factor	0.1799
Rwork	0.178
R-free	0.21840
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]	29.271	29.271	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.069	0.015	0.684
Rmeas	0.071	0.016	0.710
Rpim	0.019	0.004	0.188
Number of reflections	19252	288	1557
<I/σ(I)>	30.4
Completeness [%]	100.0	97.1	100
Redundancy	13.8	12.2	14
CC(1/2)	1.000	1.000	0.907

Crystallization Conditions

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