6GV2

Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y103F,Y130F,A198F variant in complex with L-2-keto, 3-deoxy-galactonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97625
Spacegroup name	P 65 2 2
Unit cell lengths	103.478, 103.478, 245.551
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.092 - 2.101
R-factor	0.1667
Rwork	0.164
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w37
RMSD bond length	0.008
RMSD bond angle	0.873
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	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.605
Number of reflections	46234
<I/σ(I)>	22.2	3.06
Completeness [%]	99.9	100
Redundancy	6.8	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	291	0.1M HEPES PH 6.8, 13% PEG 4000, 8% ISOPROPANOL