4HKP

Crystal structure of human orotidine 5'-monophosphate decarboxylase complexed with CMP-N3-oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-06-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 1 21 1
Unit cell lengths	69.290, 61.775, 70.523
Unit cell angles	90.00, 112.90, 90.00

Refinement procedure

Resolution	64.970 - 1.750
R-factor	0.162
Rwork	0.161
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.592
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.041	0.022	0.248
Number of reflections	53546
<I/σ(I)>	16.8
Completeness [%]	96.4	98.2	92.7
Redundancy	4	4.1	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.6M-1.7M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K