9FHE

hKHK-C in complex with BI-9787 (pH 5.5)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99986
Spacegroup name	P 21 21 21
Unit cell lengths	81.659, 83.123, 146.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.300 - 2.313
R-factor	0.2185
Rwork	0.218
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.960
Data scaling software	Aimless
Refinement software	BUSTER (2.11.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.300	2.577
High resolution limit [Å]	2.310	2.313
Number of reflections	31148	1557
<I/σ(I)>	11.9
Completeness [%]	94.2
Redundancy	13.7
CC(1/2)	1.000	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293.15	0.1 M ammonium acetate, 17% PEG 10,000, 0.1M BIS-TRIS pH 5.5