3ZZX

Crystallographic structure of thioredoxin from Litopenaeus vannamei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-08-11
Detector	RIGAKU-MSC R-AXIS IV++
Spacegroup name	P 32 1 2
Unit cell lengths	57.776, 57.776, 118.094
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.290 - 1.880
R-factor	0.1847
Rwork	0.182
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xwa
RMSD bond length	0.007
RMSD bond angle	1.026
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.990
High resolution limit [Å]	1.880	1.880
Rmerge	0.060	0.440
Number of reflections	55281
<I/σ(I)>	13.3	3.14
Completeness [%]	94.5	91.6
Redundancy	3.14	3.16

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		2.0 M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE PH 4.6