4K1W

Crystal structure of the A314P mutant of mannonate dehydratase from novosphingobium aromaticivorans complexed with mg and d-mannonate

Replaces:  3R4E

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	2011-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	C 2 2 21
Unit cell lengths	116.223, 165.363, 167.197
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.214 - 1.646
R-factor	0.1582
Rwork	0.157
R-free	0.18360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qjj
RMSD bond length	0.006
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.214
High resolution limit [Å]	1.646
Number of reflections	191348
Completeness [%]	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	30% PEG400, 0.1M HEPES, 0.2M SODIUM CHLORIDE, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K