2BX7

Crystal structure of L. lactis dihydroorotate dehydrogense A in complex with 3,5-dihydroxybenzoate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	53.710, 108.127, 66.216
Unit cell angles	90.00, 104.06, 90.00

Refinement procedure

Resolution	25.000 - 2.040
R-factor	0.187
Rwork	0.184
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ovd
RMSD bond length	0.018
RMSD bond angle	1.528
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.080	0.340
Number of reflections	47526
<I/σ(I)>	21.5	6.3
Completeness [%]	93.1	47.5
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8		HANGING DROPS OF 2 MICROLITERS PROTEIN AND INHIBITOR (17 MG/ML PROTEIN AND 2.6 MM 3, 5-DIHYDROXYBENZOATE) AND 2 MIKROLITERS RESERVOIR. DROPS WERE EQUILIBRATED OVER 1 ML RESERVOIR SOLUTION. RESERVOIR SOLUTION: 30 % PEG 6000, 1 MM DTT, 0.2 M SODIUM ACETATE AND 0.1 M TRIS-HCL, PH 8.8