9WN3

Crystal structure of W27-Fab in complex with an epitope peptide from serine hydroxymethyltransferase (SHMT)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999994
Spacegroup name	P 21 21 21
Unit cell lengths	60.370, 140.655, 180.979
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.790 - 2.350
R-factor	0.2246
Rwork	0.223
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9wn2
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	XDS (v2019)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.295	2.490
High resolution limit [Å]	2.350	2.350
Rmerge	0.066	0.831
Number of reflections	64977	10239
<I/σ(I)>	16.69	2.7
Completeness [%]	99.7	98.7
Redundancy	6.5	6.4
CC(1/2)	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M Magnecium Acetate, 0.1 M Sodium Cacodylate pH6.3, 22% PEG10,000,20%(v/v) Glycerol