6H7R

Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase T157V/A198L variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-16
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5406
Spacegroup name	P 21 21 21
Unit cell lengths	83.103, 126.039, 126.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.545 - 2.800
R-factor	0.1897
Rwork	0.187
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w37
RMSD bond length	0.004
RMSD bond angle	0.664
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	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.135	0.517
Number of reflections	30037	1419
<I/σ(I)>	7.95
Completeness [%]	89.3	87.3
Redundancy	2.9	2.2

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