6G3Z

Sulfolobus sulfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with D-KDPG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	106.865, 106.865, 245.636
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.212 - 2.350
R-factor	0.1892
Rwork	0.187
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w37
RMSD bond length	0.009
RMSD bond angle	1.003
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]	92.548	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.145	2.510
Rmeas	0.146	2.541
Rpim	0.023	0.392
Number of reflections	35510	3406
<I/σ(I)>	22.2	2.7
Completeness [%]	100.0	100
Redundancy	75.8	79.1
CC(1/2)	1.000	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	11% PEG 4000, 8% isopropanol, 0.1M HEPES pH 6.0