6QIX

The crystal structure of Trichuris muris p43

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-04
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.92
Spacegroup name	P 1 21 1
Unit cell lengths	47.682, 164.834, 61.169
Unit cell angles	90.00, 110.37, 90.00

Refinement procedure

Resolution	57.340 - 1.650
R-factor	0.1523
Rwork	0.150
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse
RMSD bond length	0.013
RMSD bond angle	1.194
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (dev_3304)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.340	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.127	1.953
Rmeas	0.135	2.078
Rpim	0.045	0.700
Number of reflections	103460	9969
<I/σ(I)>	9.57	1.06
Completeness [%]	97.7	94.26
Redundancy	8.7	8.7
CC(1/2)	0.998	0.528

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	277	0.1 M Carboxylic acids 0.1 M Buffer System 3 8.5 50 % v/v Precipitant Mix 1 Morpheus G9 Molecular Dimensions Precipitant Mix 1 P500MME_P20K 40% v/v PEG 500* MME; 20 % w/v PEG 20000, Buffer System 1 1.0M 6.5 Imidazole; MES monohydrate (acid), Carboxylic acids 0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate