3TH6

Crystal structure of Triosephosphate isomerase from Rhipicephalus (Boophilus) microplus.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.97700
Spacegroup name	P 65
Unit cell lengths	53.384, 53.384, 278.775
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.460 - 2.400
R-factor	0.221
Rwork	0.186
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wyi
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	PHASER (1.3.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.474	7.590	2.530
High resolution limit [Å]	2.400	5.370	2.400
Rmerge	0.102	0.064	0.375
Total number of observations		9051	22329
Number of reflections	17583
<I/σ(I)>	17.3	8.9	2
Completeness [%]	100.0	100	100
Redundancy	8.5	8.8	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES/Na, 1.4 M Trisodium citrate dihydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K