9QZH

GID4 in complex with Compound 33

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	2022-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	80.000, 44.460, 103.060
Unit cell angles	90.00, 112.83, 90.00

Refinement procedure

Resolution	47.540 - 2.190
R-factor	0.18431
Rwork	0.182
R-free	0.21967
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.970
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.540	2.230
High resolution limit [Å]	2.160	2.160
Number of reflections	140534	11487
<I/σ(I)>	7.6
Completeness [%]	98.8
Redundancy	3.9
CC(1/2)	0.995	0.209

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292.15	0.1 M Na HEPES pH 7.0,0.1 M lithium sulfate, 20% PEG 4000