2P4G

CRYSTAL STRUCTURE OF A PYRIMIDINE REDUCTASE-LIKE PROTEIN (DIP1392) FROM CORYNEBACTERIUM DIPHTHERIAE NCTC AT 2.30 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-22
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 64
Unit cell lengths	113.510, 113.510, 55.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.273 - 2.300
R-factor	0.175
Rwork	0.173
R-free	0.22500
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.449
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.273	28.300	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.052	0.021	0.410
Number of reflections	18260
<I/σ(I)>	11.61	30.1	1.76
Completeness [%]	97.3	97.4	92.9
Redundancy	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	NANODROP, 0.2M Potassium nitrate, 20.0% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	6.9	277	NANODROP, 0.2M Potassium nitrate, 20.0% PEG 3350, No Buffer pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 277K