2GM7

TenA Homolog/Thi-4 Thiaminase from Pyrobaculum Aerophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	113.757, 134.926, 144.029
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 - 2.800
R-factor	0.234
Rwork	0.231
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1udd
RMSD bond length	0.009
RMSD bond angle	1.123
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.095	0.586
Number of reflections	27783	2747
<I/σ(I)>	11.6
Completeness [%]	99.9	100
Redundancy	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	293	3 microliters of 10 mg/mL TenA in 20 mM Tris pH8, 20 mM NaCl, mixed with 3 microliters reservoir = 16% PEG 2000MME, and 0.1 M sodium phosphate, pH 6.6., VAPOR DIFFUSION, SITTING DROP, temperature 293K