6RQX

High-resolution crystal structure of ERAP1 in complex with 10mer phosphinic peptide

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	2018-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	P 2 21 21
Unit cell lengths	58.004, 116.439, 147.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.681 - 1.680
R-factor	0.1764
Rwork	0.176
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q4r
RMSD bond length	0.007
RMSD bond angle	0.868
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.750	1.742
High resolution limit [Å]	1.680	1.680
Rmerge	0.093
Number of reflections	114099	11316
<I/σ(I)>	12.11
Completeness [%]	99.7	99.78
Redundancy	5.2	5.3
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	200 mM potassium thiocyanate, 20% PEG 3350