6WEP

Crystal structure of TS-DHFR from Cryptosporidium hominis with Apo-TS site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	76.822, 118.114, 153.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.270 - 2.790
R-factor	0.2416
Rwork	0.239
R-free	0.28520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q0e
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.960
High resolution limit [Å]	2.790	2.790
Number of reflections	35381	5490
<I/σ(I)>	14.12	1.61
Completeness [%]	99.5	97
Redundancy	12.6	11.8
CC(1/2)	0.996	0.543

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295.15	Well solution 18% PEG 8000, 0.2 M calcium acetate, 0.1 M sodium cacodylate Drop ratio 1:1 enzyme mix/well solution