7L3O

Crystal Structure of the RNA binding domain of Threonyl-tRNA synthetase from Cryptosporidium parvum Iowa II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-09-24
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1
Unit cell lengths	65.730, 67.450, 143.180
Unit cell angles	91.58, 97.53, 120.78

Refinement procedure

Resolution	47.260 - 2.100
R-factor	0.1788
Rwork	0.178
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hwt in two domains as per MoRDa
RMSD bond length	0.007
RMSD bond angle	0.821
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19rc4-4035)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.062	0.037	0.422
Rmeas	0.075	0.045	0.514
Number of reflections	116442	1177	8551
<I/σ(I)>	12.35	28.08	2.93
Completeness [%]	95.8	87.8	95.2
Redundancy	3.242	3.15	3.004
CC(1/2)	0.997	0.995	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	Microlytic MCSG1 screen e9: 200mM CaCl2, 20% (w/V) PEG 3350: CrpaA.18896.a.B3.PW38874 at 18mg/ml: tray 317798 e9: cryo: 20% EG in 2 steps: puck dxt2-9.