6VE6

A structural characterization of poly(aspartic acid) hydrolase-1 from Sphingomonas sp. KT-1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-18
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	81.749, 87.006, 171.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.691 - 2.446
R-factor	0.2384
Rwork	0.236
R-free	0.29030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d0k
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.446	6.650	2.450
Rmerge	0.160	0.051	0.756
Rmeas	0.180	0.058	0.841
Rpim	0.079	0.026	0.363
Number of reflections	45675	2452	2278
<I/σ(I)>	5.7
Completeness [%]	99.7	98.4	100
Redundancy	5	4.6	5.2
CC(1/2)		0.999	0.731

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15% PEG 3350, 2% 1,4-Dioxane, and 0.1M Tris pH 8.0