1XRH

Crystal Structure of Ureidoglycolate Dehydrogenase from Escherichia Coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-31
Detector	MARRESEARCH
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	104.715, 129.916, 106.468
Unit cell angles	90.00, 95.77, 90.00

Refinement procedure

Resolution	19.860 - 2.250
R-factor	0.1921
Rwork	0.192
R-free	0.25000
Structure solution method	SAD
Starting model (for MR)	Density modified experimental electron density map based on Se sites. Se sites were obtained from poor phases from a weak MR solution using a model derived from pdb entry 1RFM.
RMSD bond length	0.018
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.860	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	213051
<I/σ(I)>	6.5
Completeness [%]	80.5	72
Redundancy	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	15% PEG 4000, 0.1M Sodium Citrate pH 5.6, 0.06M Amonium Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 291K