6PLD

Crystal Structure of Pseudomonas aeruginosa D-Arginine Dehydrogenase Y249F variant with 6-OH-FAD - Green fraction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-11
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	59.780, 73.910, 76.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.789 - 1.550
R-factor	0.1652
Rwork	0.163
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nye
RMSD bond length	0.006
RMSD bond angle	1.179
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.780	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.103	0.488
Number of reflections	48055	2284
<I/σ(I)>	10.6	3.2
Completeness [%]	96.1	93.4
Redundancy	7	6.5
CC(1/2)	0.995	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	298	0.05 M Tris-Cl pH 6.5-7.0, 10% glycerol, and 12-13% (w/v) PEG 3350, 5-10% PEG 5000