10ZB

Room-temperature X-ray structure of E53Q mutant of Thermus thermophilus serine hydroxymethyltransferase (TthSHMT) in complex with PLP-L-Ser external aldimine and tetrahydrofolate (THF)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-07-19
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54186
Spacegroup name	P 1 21 1
Unit cell lengths	58.859, 83.602, 95.338
Unit cell angles	90.00, 91.69, 90.00

Refinement procedure

Resolution	27.880 - 1.800
R-factor	0.1589
Rwork	0.158
R-free	0.18500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.001
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.300	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.114	0.325
Rpim	0.058	0.171
Number of reflections	85253	8531
<I/σ(I)>	21	4.6
Completeness [%]	99.6	99.6
Redundancy	5	4.6
CC(1/2)	0.971	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	40 mM NaOAc, pH 5.5, 1M ammonium sulfate, 0.5M lithium sulfate