7CF6

Crystal structure of Beta-aspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum AW-1 in complex with beta-Asp-Leu dipeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98461
Spacegroup name	P 2 21 2
Unit cell lengths	78.609, 150.425, 151.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.660 - 2.750
R-factor	0.2002
Rwork	0.196
R-free	0.27830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7cdh
RMSD bond length	0.008
RMSD bond angle	1.613
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.310	0.089	1.552
Rmeas	0.327	0.094	1.674
Rpim	0.100	0.029	0.613
Total number of observations	466994
Number of reflections	46521	2530	2303
<I/σ(I)>	2.5
Completeness [%]	99.7	99.3	99.4
Redundancy	10	9.7	6.9
CC(1/2)		0.997	0.368

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2% Tacismate pH 5.0, 0.1 M Sodium citrate pH 5.6, 16 % w/v Polyethylene glycol 3,350