7OU6

Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 43 21 2
Unit cell lengths	101.288, 101.288, 284.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.278 - 2.410
Rwork	0.221
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5m7r
RMSD bond length	0.007
RMSD bond angle	1.534
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.278	2.480
High resolution limit [Å]	2.410	2.410
Rmerge	0.054	2.280
Rmeas	0.056	2.356
Rpim	0.014	0.590
Number of reflections	58274	4446
<I/σ(I)>	26.5	1.5
Completeness [%]	100.0
Redundancy	15.8
CC(1/2)	1.000	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	0.14 - 0.2 M triammonium citrate pH 7.5, 16-20 % PEG 3350