6BLJ

Crystal structure of cytoplasmic Serine-tRNA ligase from Naegleria fowleri in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-14
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 31 2 1
Unit cell lengths	168.190, 168.190, 111.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.047 - 2.100
R-factor	0.1588
Rwork	0.158
R-free	0.19110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lsq via Morda
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa (3.22)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.047	42.047	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.071	0.028	0.544
Rmeas	0.077	0.030	0.584
Number of reflections	105635	1246	7738
<I/σ(I)>	18.67	40.93	4.31
Completeness [%]	99.8	95.8	100
Redundancy	7.457	6.677	7.561
CC(1/2)	0.999	0.998	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytic MCSG1 screen, B8:25.5% PEG 4000, 15% glycerol, 170mM NaOAc: NafoA.01238.a.B1.PW37973 at 32.5mg/ml + 3mM L-Serine + 3mM AMPPNP + 3mM MgCl2: cryo: direct: tray 286789b8, puck PEM7-1