9ISB

Ligand bound AGD of enzyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97942
Spacegroup name	P 43 21 2
Unit cell lengths	76.050, 76.050, 199.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.050 - 2.240
R-factor	0.2375
Rwork	0.236
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AGD
RMSD bond length	0.009
RMSD bond angle	1.146
Data reduction software	MOSFLM (7.4.0)
Data scaling software	pointless (1.2.16)
Phasing software	MOLREP (11.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.570	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.101	0.834
Number of reflections	28802	2880
<I/σ(I)>	20.2
Completeness [%]	99.8
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	0.2 M potassium sodium tartrate, 20% (w/v) PEG 3350.