5ABF

Structure of GH84 with ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 2 21 21
Unit cell lengths	51.591, 160.989, 223.951
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.735 - 2.100
R-factor	0.2074
Rwork	0.206
R-free	0.23440
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.003
RMSD bond angle	0.784
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.490	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.080
Number of reflections	110156
<I/σ(I)>	12.6	1.2
Completeness [%]	99.9	100
Redundancy	6.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1