5GZ6

Structure of D-amino acid dehydrogenase in complex with NADPH and 2-keto-6-aminocapronic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.838, 94.773, 138.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.740
R-factor	0.2097
Rwork	0.207
R-free	0.25020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gz1
RMSD bond length	0.028
RMSD bond angle	2.357
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.116	0.061	1.617
Number of reflections	74999
<I/σ(I)>	9.2
Completeness [%]	99.8	95.9	100
Redundancy	7	6.2	7
CC(1/2)		0.994	0.411

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 4000