2ICY

Crystal Structure of a Putative UDP-glucose Pyrophosphorylase from Arabidopsis Thaliana with Bound UDP-glucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97911
Spacegroup name	C 1 2 1
Unit cell lengths	188.008, 59.712, 89.762
Unit cell angles	90.00, 100.32, 90.00

Refinement procedure

Resolution	38.250 - 1.640
Rwork	0.183
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z90
RMSD bond length	0.019
RMSD bond angle	2.000
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.250	50.000	1.680
High resolution limit [Å]	1.640	4.040	1.640
Rmerge	0.042	0.032	0.295
Number of reflections	118994
<I/σ(I)>	20.7		3.894
Completeness [%]	98.8	99	83.1
Redundancy	4.3	4.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, hanging drop with micro-seeding		273	Protein solution (10 mg/ml protein, 0.050 M sodium chloride, 0.0003 M TCEP, 0.005 M Tris PH 8.0) mixed in a 1:1 ratio with Well solution ( 28 % PEG 2K, 5% DMSO, 0.10 M MES/Acetate pH 5.5), crystals soaked in well solution supplemented with 0.002 M UDP-glucose, vapor diffusion, hanging drop with micro-seeding, temperature 273K