5GZ1

Structure of substrate/cofactor-free D-amino acid dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.364, 83.201, 142.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.780
R-factor	0.1831
Rwork	0.181
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wyb
RMSD bond length	0.023
RMSD bond angle	2.033
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.780	4.830	1.780
Rmerge	0.043	0.029	0.303
Number of reflections	65090
<I/σ(I)>	31.7
Completeness [%]	98.2	79	99.5
Redundancy	7.1	6.2	7.2
CC(1/2)		0.998	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 3350