2A7N

Crystal Structure of the G81A mutant of the Active Chimera of (S)-Mandelate Dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	I 4
Unit cell lengths	99.300, 99.300, 87.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
Rwork	0.180
R-free	0.19900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p4c
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.069	0.386
Number of reflections	35992
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	291	0.2M MES, 0.75% ammonium sulfate, 10% ethylene glycol, 20uM FMN, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 291K