6EEJ

Streptomyces bingchenggensis Aldolase-Dehydratase in covalent complex with dienone product.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-05
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97985
Spacegroup name	P 21 21 2
Unit cell lengths	157.050, 123.746, 53.097
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 1.892
R-factor	0.1619
Rwork	0.162
R-free	0.18090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zbo
RMSD bond length	0.002
RMSD bond angle	0.605
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.790	1.960
High resolution limit [Å]	1.892	1.892
Rmerge	0.129	0.553
Rmeas	0.139	0.599
Rpim	0.052	0.228
Number of reflections	83236	7582
<I/σ(I)>	17.34	3.5
Completeness [%]	99.2	92.31
Redundancy	7.2	6.8
CC(1/2)	0.994	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	3.5-4.0 M potassium formate, 2-5% PEG 2K MME, 100 mM Bis-Tris propane, pH 9.0