2YW4

Crystal Structure Analysis of the 4-hydroxy-2-oxoglutarate aldolase/2-deydro-3-deoxyphosphogluconate aldolase from TTHB1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-05-22
Detector	RIGAKU RAXIS V
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	66.686, 66.686, 241.301
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.800 - 2.530
R-factor	0.171
Rwork	0.164
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mxs
RMSD bond length	0.033
RMSD bond angle	2.580
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.800	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.055	0.298
Number of reflections	7273
<I/σ(I)>	33.47	8.55
Completeness [%]	99.9	100
Redundancy	10.1	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	301	0.2M Calcium Chloride dihydrate, 0.1M Sodium Acetate trihydrate, 20% v/v iso-Propanol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 301K