6FL5

Structure of human SHMT1-H135N-R137A-E168N mutant at 3.6 Ang. resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-10
Detector	DECTRIS EIGER R 4M
Wavelength(s)	0.96770
Spacegroup name	P 43 21 2
Unit cell lengths	139.719, 139.719, 267.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 3.600
R-factor	0.263
Rwork	0.262
R-free	0.27710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj4
RMSD bond length	0.002
RMSD bond angle	0.638
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.610	56.610	3.790
High resolution limit [Å]	3.600	11.380	3.600
Rmerge	0.312	0.075	1.019
Rmeas	0.340	0.082	1.107
Rpim	0.131	0.033	0.425
Number of reflections	30938	1139	4471
<I/σ(I)>	5.6
Completeness [%]	98.2	98.6	99.2
Redundancy	6.3	5.6	6.5
CC(1/2)	0.973	0.996	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	2 microL of 80microM protein solution in: 20 mM Hepes pH7.2, 250 mM NaCl 5% glycerol + 2 microL of reservoir:0.1 M Na Cacodilate pH6.5 - 1M Na citrate