3I1C

Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Detector technology	IMAGE PLATE
Collection date	2009-01-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.239, 83.112, 85.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.120 - 2.200
R-factor	0.18775
Rwork	0.184
R-free	0.25307
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.889
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Number of reflections	15218

Crystallization Conditions

crystal ID	method	pH	temperature	details
1