9QZG

GID4 in complex with Compound 18

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03321
Spacegroup name	P 21 21 21
Unit cell lengths	40.255, 41.752, 103.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.730 - 1.900
R-factor	0.27873
Rwork	0.276
R-free	0.33584
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.533
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.750	1.900
High resolution limit [Å]	1.790	1.790
Number of reflections	30931	4913
<I/σ(I)>	5.68
Completeness [%]	97.1
Redundancy	4.38
CC(1/2)	0.988	0.303

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Na HEPES pH 7.0,0.1 M lithium sulfate, 22.5% PEG 4000