3S5O

Crystal Structure of Human 4-hydroxy-2-oxoglutarate Aldolase Bound to Pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-07-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 64 2 2
Unit cell lengths	141.230, 141.230, 108.388
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.648 - 1.970
R-factor	0.1973
Rwork	0.196
R-free	0.21590
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.429
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.170	35.170	2.040
High resolution limit [Å]	1.970	4.240	1.970
Rmerge	0.050	0.029	0.354
Total number of observations		66768	54992
Number of reflections	45370
<I/σ(I)>	20.8	49.8	5.7
Completeness [%]	99.9	99.2	100
Redundancy	13.82	13.7	12.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 3350, KSCN, Bis tris Propane, TCEP, Ethelyene glycol, pH 7.5, vapor diffusion, hanging drop, temperature 298K