9GJS

ERAP1 in complex with 1-[2-(6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-4,4-difluorocyclohexane-1-carboxylic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	112.693, 140.804, 57.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.380 - 1.351
R-factor	0.1722
Rwork	0.171
R-free	0.20260
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.070
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Refinement software	BUSTER (2.11.8 (26-JUL-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.000	1.470
High resolution limit [Å]	1.350	1.350
Number of reflections	142076	7104
<I/σ(I)>	9.8
Completeness [%]	70.7
Redundancy	6.5
CC(1/2)	0.997	0.327

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	22% w/v PEG 1500, 0.1 M SPG buffer pH 5.4