8RDX

PGGtase I in complex with probe BAY-6092

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	2018-05-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	C 1 2 1
Unit cell lengths	270.891, 269.263, 185.248
Unit cell angles	90.00, 131.77, 90.00

Refinement procedure

Resolution	48.210 - 3.670
R-factor	0.13817
Rwork	0.137
R-free	0.18907
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.722
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.210	3.890
High resolution limit [Å]	3.670	3.670
Number of reflections	105402	15220
<I/σ(I)>	20.64	5.8
Completeness [%]	97.4
Redundancy	3.86
CC(1/2)	0.999	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2 M K-Na-tartrate, 100 mM (NH4)2SO4, 100 mM MES pH 6.5