6OTE

Crystal Structure of Seryl-tRNA synthetase (SerRS) from Cryptosporidium parvum complexed with L-Serylsulfamoyl Adenosine

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	2018-08-02
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 41 2 2
Unit cell lengths	92.210, 92.210, 257.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.920 - 2.950
R-factor	0.2112
Rwork	0.208
R-free	0.25250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qne
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((1.15.2_3472))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.920	44.920	3.030
High resolution limit [Å]	2.950	13.190	2.950
Rmerge	0.080	0.029	0.559
Rmeas	0.085	0.032	0.590
Total number of observations	112243
Number of reflections	12140	163	868
<I/σ(I)>	17.83	30.6	3.95
Completeness [%]	99.8	95.3	100
Redundancy	9.246	7.147	9.737
CC(1/2)	0.999	0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	287	CrpaA.01238.a.HZ1.PW38382 at 34.26 mg/ml was incubated with 3 mM Ser-AMS, then was mixed 1:1 with Wiz3/4(c4): 70% (v/v) MPD, 0.1 M HEPES / NaOH, pH = 7.5. Tray: 297963c4, puck: wuq4-1