7Q5I

A glucose-based molecular rotor probes the catalytic site of glycogen phosphorylase.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-08-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	128.602, 128.602, 116.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.002 - 1.800
Rwork	0.158
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mem
RMSD bond length	0.005
RMSD bond angle	1.313
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.600	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	90796	4430
<I/σ(I)>	21.4
Completeness [%]	100.0
Redundancy	20.4
CC(1/2)	0.999	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.8	289	N,N-bis(2-hydroxyethyl)-2-aminoethanesulfonic acid, EDTA, DTT, IMP