7CDH

Crystal structure of Betaaspartyl dipeptidase from thermophilic keratin degrading Fervidobacterium islandicum-AW-1

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	2017-09-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 4 2 2
Unit cell lengths	143.940, 143.940, 119.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.850 - 2.600
R-factor	0.1657
Rwork	0.163
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	10NW
RMSD bond length	0.011
RMSD bond angle	1.680
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.073	0.041	0.824
Rmeas	0.074	0.043	0.841
Rpim	0.016	0.010	0.169
Total number of observations	439332
Number of reflections	19156	1028	965
<I/σ(I)>	7.9
Completeness [%]	97.7	94.7	100
Redundancy	22.9	17.5	24.6
CC(1/2)		0.997	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Sodium acetate pH 4.6, 1 M Sodium formate