9QDY

GID4 in complex with Compound 9

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	2021-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.03318
Spacegroup name	P 1 21 1
Unit cell lengths	38.065, 40.274, 54.394
Unit cell angles	90.00, 110.38, 90.00

Refinement procedure

Resolution	35.670 - 2.100
R-factor	0.21471
Rwork	0.213
R-free	0.25414
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.461
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.270	1.900
High resolution limit [Å]	1.790	1.790
Number of reflections	14211	2114
<I/σ(I)>	3.89
Completeness [%]	95.8
Redundancy	4.27
CC(1/2)	0.987	0.028

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Na HEPES pH 7.0, 15% PEG 3350