6H7S

Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/A198L variant in complex with L-2-keto-3deoxy-gluconate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5406
Spacegroup name	P 65 2 2
Unit cell lengths	105.061, 105.061, 246.416
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.265 - 3.202
R-factor	0.1809
Rwork	0.177
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w37
RMSD bond length	0.003
RMSD bond angle	0.630
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.260
High resolution limit [Å]	3.200	3.200
Rmerge	0.201	0.593
Number of reflections	13375	675
<I/σ(I)>	5.68
Completeness [%]	95.4	99.9
Redundancy	3.9	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	291	15% PEG4K, 12% isopropanol, 0.1M HEPES pH 5.9