4UR9

Structure of ligand bound glycosylhydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Spacegroup name	P 2 21 21
Unit cell lengths	51.486, 162.735, 223.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.786 - 2.200
R-factor	0.2231
Rwork	0.222
R-free	0.25200
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.004
RMSD bond angle	0.774
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.160	1.500
Number of reflections	130125
<I/σ(I)>	8.7	0.84
Completeness [%]	99.5	96.9
Redundancy	6.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1