5ZGA

Crystal Structure of Triosephosphate isomerase SAD deletion and N115A mutant from Opisthorchis viverrini

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-09-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97942
Spacegroup name	P 1 21 1
Unit cell lengths	74.040, 92.555, 76.075
Unit cell angles	90.00, 109.39, 90.00

Refinement procedure

Resolution	46.278 - 1.793
R-factor	0.1474
Rwork	0.147
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfx
RMSD bond length	0.009
RMSD bond angle	1.104
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.091	0.095	0.273
Rmeas	0.100	0.105	0.310
Rpim	0.040	0.043	0.143
Total number of observations	464383
Number of reflections	87968	4506	4271
<I/σ(I)>	9.6
Completeness [%]	97.2	97.1	95.1
Redundancy	5.3	5.8	4
CC(1/2)		0.994	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.5	293	PEG 3350