7K41

Bacterial O-GlcNAcase (OGA) with compound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	C 1 2 1
Unit cell lengths	188.771, 52.646, 84.464
Unit cell angles	90.00, 99.69, 90.00

Refinement procedure

Resolution	41.630 - 2.000
Rwork	0.186
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2chn
RMSD bond length	0.007
RMSD bond angle	1.356
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.630	2.064
High resolution limit [Å]	2.000	2.000
Rmerge	0.053	0.447
Number of reflections	52607	3250
<I/σ(I)>	17.46	1.6
Completeness [%]	93.4	58.42
Redundancy	3.6
CC(1/2)	0.998	0.781

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.5 M NaAcetate, 15% PEG 3350, 0.1 M MES pH 6.0, 20% glycerol