6GSO

Sulfolobus solfataricus 2-keto-3-deoxygluconate aldolase Y132V,T157C variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	57.024, 144.622, 161.486
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.743 - 2.000
R-factor	0.1843
Rwork	0.182
R-free	0.23570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w37
RMSD bond length	0.012
RMSD bond angle	1.078
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	BALBES
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	107.730	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.050	0.377
Rmeas	0.068	0.522
Rpim	0.046	0.360
Number of reflections	90479	4466
<I/σ(I)>	10.4	2.1
Completeness [%]	99.5	100
Redundancy	3.2	3.2
CC(1/2)	0.998	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	15% PEG4K, 8% isopropanol, 0.1M HEPES pH 6.0