4H8A

Crystal structure of ureidoglycolate dehydrogenase in binary complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97948
Spacegroup name	P 42 21 2
Unit cell lengths	162.509, 162.509, 60.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.072 - 1.640
R-factor	0.2304
Rwork	0.230
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xrh
RMSD bond length	0.007
RMSD bond angle	1.139
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.700
High resolution limit [Å]	1.640	3.530	1.640
Rmerge	0.097	0.051	0.968
Number of reflections	99377
<I/σ(I)>	6
Completeness [%]	99.5	95.5	100
Redundancy	12	10.7	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M MES, pH 6.0, 4.0 M sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K