8SSY

Room-temperature X-ray structure of Thermus thermophilus serine hydroxymethyltransferase (SHMT) bound with D-Ser in a pseudo-Michaelis complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-06-21
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	58.907, 83.473, 95.696
Unit cell angles	90.00, 91.69, 90.00

Refinement procedure

Resolution	29.440 - 1.800
R-factor	0.1333
Rwork	0.132
R-free	0.16340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.607
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.860
High resolution limit [Å]	1.800	1.800
Rpim	0.020	0.132
Number of reflections	85843	8588
<I/σ(I)>	36
Completeness [%]	100.0
Redundancy	13.3
CC(1/2)	0.998	0.920

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 with 40 mM NaOAc pH 5.5, 0.5 M D-Ser, 15% PEG 4000