7PZZ

Crystal structure of serine hydroxymethyltransferase, isoform 2 from Arabidopsis thaliana (SHM2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-09-04
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	115.201, 131.236, 151.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.840 - 1.650
R-factor	0.158
Rwork	0.158
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6smw
RMSD bond length	0.008
RMSD bond angle	1.008
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.094	1.140
Number of reflections	274997	43063
<I/σ(I)>	17.19	1.85
Completeness [%]	99.5	97
Redundancy	8	7.3
CC(1/2)	0.999	0.650

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	SHM2 15 mg/ml; drop 3+2 uL 90% Index (Hampton Research) F8 (0.2 M Ammonium sulfate, 0.1 M HEPES 7.5, 25% w/v Polyethylene glycol 3,350) cryoprotection with 20% ethylene glycol in the F8 Index condition