4G8T

Crystal structure of a glucarate dehydratase related protein, from actinobacillus succinogenes, target EFI-502312, with sodium and sulfate bound, ordered loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-01
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	110.837, 124.854, 139.093
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.477 - 1.700
R-factor	0.1535
Rwork	0.152
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ec7
RMSD bond length	0.011
RMSD bond angle	1.005
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	139.093	28.477	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.112	0.043	0.531
Total number of observations		48692	195168
Number of reflections	210738
<I/σ(I)>	9.2	15	1.4
Completeness [%]	99.7	98.2	99.1
Redundancy	6.9	7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	7.5	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl); Reservoir (0.2 M Lithium Sulfate, 0.1 M Sodium Acetate, 0.1 M HEPES, 25% PEG4000); Cryoprotection (Reservoir, + 20% glycerol and 50 mM MgCl), sitting drop vapor diffuction, temperature 298K