3BQB

Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase

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	2005-12-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	157.092, 157.092, 131.921
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.740 - 2.700
R-factor	0.24031
Rwork	0.238
R-free	0.28355
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q18
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.900	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.049	0.526
Number of reflections	50804
<I/σ(I)>	30.7	3.4
Completeness [%]	99.9	100
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	Na/K-phosphate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K