5Z7X

Crystal structure of Striga hermonthica HTL4 (ShHTL4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2016-10-01
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	63.800, 77.960, 99.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.980 - 2.055
R-factor	0.191
Rwork	0.189
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cbk
RMSD bond length	0.002
RMSD bond angle	0.549
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.055	2.055
Rmeas	0.049	0.406
Number of reflections	29377	1927
<I/σ(I)>	18.6	2.5
Completeness [%]	98.9	86.8
Redundancy	3.6	2.3
CC(1/2)	0.999	0.902

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293.15	90mM Tris-HCl (pH 9.0), 27% (w/v) PEG 4000, 180mM MgCl2, 1mM GSH