7YH4

Crystal structure of human cytosolic beta-alanyl lysine dipeptidase (PM20D2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2021-08-13
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	78.834, 112.888, 123.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.624 - 2.030
R-factor	0.1989
Rwork	0.197
R-free	0.23680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ram
RMSD bond length	0.006
RMSD bond angle	0.776
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.590	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.049	1.140
Rmeas	0.053
Rpim	0.020	0.540
Number of reflections	35868	2616
<I/σ(I)>	23.3	1.7
Completeness [%]	100.0	99.8
Redundancy	7.2	5.4
CC(1/2)	1.000	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.6	294	70 mM calcium chloride, 35 mM sodium acetate pH4.6, 7% isopropanol, 15% glycerol, 20mM Tris-Cl, 200 mM NaCl (mixed in 1:1)