5X3V

Structure of human SHMT2 protein mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	158.655, 158.655, 209.358
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.850
R-factor	0.17973
Rwork	0.177
R-free	0.23129
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pvf
RMSD bond length	0.007
RMSD bond angle	1.243
Data reduction software	HKL-2000
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.850
Number of reflections	27966
<I/σ(I)>	28.35
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.4	291	0.2M Ammonium sulfate, 0.1M Bis-Tris (pH 7.0), 20%(w/v) Polyethylene glycol 3350