7Z28

High-resolution crystal structure of ERAP1 with bound bestatin analogue inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 2 21 21
Unit cell lengths	57.651, 113.174, 140.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	88.050 - 1.550
R-factor	0.1658
Rwork	0.165
R-free	0.18220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q4r
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.050	1.570
High resolution limit [Å]	1.550	1.550
Rmerge	0.089	0.654
Number of reflections	132999	4161
<I/σ(I)>	17.2
Completeness [%]	99.6
Redundancy	12
CC(1/2)	0.750	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.1 M SPG 7.0 25 % w/v PEG 1500