9BOW

X-ray structure of Thermus thermophilus serine hydroxymethyltransferase with PLP-L-Ser external aldimine and 5-formyltetrahydrofolate (folinic acid)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2023-01-10
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5406
Spacegroup name	P 1 21 1
Unit cell lengths	58.131, 82.814, 94.446
Unit cell angles	90.00, 91.58, 90.00

Refinement procedure

Resolution	29.050 - 1.800
R-factor	0.1329
Rwork	0.132
R-free	0.15950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.245
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.050	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.030	0.111
Rpim	0.026	0.105
Number of reflections	76390	2744
<I/σ(I)>	23.3	7.6
Completeness [%]	92.2	56.4
Redundancy	3.5	2.2
CC(1/2)	0.997	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289.15	40 mM NaOAc pH 5.5, 1 M (NH4)2SO4, 0.5 M Li2SO4, soaked in 40 mM NaOAc pH 5.5, 0.5 M L-Ser, 15% PEG 4000