4KT2

Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol

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	2010-09-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	86.585, 177.787, 109.993
Unit cell angles	90.00, 102.62, 90.00

Refinement procedure

Resolution	35.172 - 1.798
R-factor	0.1507
Rwork	0.149
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ow1
RMSD bond length	0.007
RMSD bond angle	1.041
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	35.172
High resolution limit [Å]	1.798
Number of reflections	295190
Completeness [%]	98.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.5M ammonium sulfate, 0.1M bis-tris, 0.1M sodium chloride , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K