4F4R

Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, 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	2012-03-03
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 4 2 2
Unit cell lengths	111.389, 111.389, 84.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.894 - 1.800
R-factor	0.1459
Rwork	0.145
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bsm
RMSD bond length	0.008
RMSD bond angle	1.052
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.120	0.752
Number of reflections	49800
<I/σ(I)>	15.3	4.2
Completeness [%]	100.0	100
Redundancy		14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (10 mM Hepes pH 7.5, 150 mM NaCl, 10% glycerol, 1 mM DTT, 5 mM MgCl), Reservoir (0.2 M NaAcetate, 0.1 M Tris-HCl pH 8.5, 30% Peg4000); Cryoprotection (Reservoir, + 20% glycerol), sitting drop vapor diffusion, temperature 298K, VAPOR DIFFUSION, SITTING DROP