4HYR

Structure of putative Glucarate dehydratase from Acidaminococcus sp. D21 with unusual static disorder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	88.916, 88.916, 236.218
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.690 - 1.840
R-factor	0.1647
Rwork	0.163
R-free	0.19970
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.433
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	HKL2Map
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.870
High resolution limit [Å]	1.840	4.990	1.840
Rmerge	0.116	0.059	0.970
Number of reflections	82827
<I/σ(I)>	37.238		3.875
Completeness [%]	99.5	99.9	90.2
Redundancy	23.8	20.4	22.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.1M Bis-Tris pH 5.5, 25% PEG 3350, Vapor diffusion, Sitting drop, temperature 298K