9GK6

ERAP1 in complex with 1-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamido]cyclohexane-1-carboxylic acid

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91587
Spacegroup name	P 21 21 2
Unit cell lengths	112.728, 140.610, 57.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.540 - 1.327
R-factor	0.1729
Rwork	0.172
R-free	0.18980
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012
RMSD bond angle	1.150
Data reduction software	autoPROC
Data scaling software	Aimless
Refinement software	BUSTER (2.11.8 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.000	1.370
High resolution limit [Å]	1.327	1.330
Number of reflections	199707	9980
<I/σ(I)>	9.9
Completeness [%]	94.7
Redundancy	6.4
CC(1/2)	0.998	0.657

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25% w/v PEG 1500, 0.1 M MMT buffer pH 5.0