5ZG5

Crystal Structure of Triosephosphate isomerase SADsubAAA 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 21 21 21
Unit cell lengths	68.840, 90.369, 102.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.276 - 1.597
R-factor	0.1711
Rwork	0.171
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zfx
RMSD bond length	0.007
RMSD bond angle	0.937
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	1.610
High resolution limit [Å]	1.580	4.290	1.580
Rmerge	0.169	0.123	0.473
Rmeas	0.178	0.129	0.532
Rpim	0.057	0.039	0.234
Total number of observations	654169
Number of reflections	82985	4449	3920
<I/σ(I)>	5.3
Completeness [%]	98.7	98.8	95.3
Redundancy	7.9	10.4	4.5
CC(1/2)		0.994	0.432

Crystallization Conditions

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