6C5Z

Human UDP-Glucose Dehydrogenase A225L substitutuion with UDP-glucose and NADH bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	77
Detector technology	CCD
Collection date	2012-04-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	93.770, 199.800, 200.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.061 - 2.950
R-factor	0.206
Rwork	0.203
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q3e
RMSD bond length	0.009
RMSD bond angle	1.007
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.063	3.020
High resolution limit [Å]	2.950	2.950
Rmeas	0.167	1.142
Number of reflections	79604	5781
<I/σ(I)>	7.91	1.44
Completeness [%]	99.1	98.5
Redundancy	4.63	4.2
CC(1/2)	0.992	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8	293	20% PEG3350, 50 mM dipotassium phosphate, 100 mM sodium glycine