2Q45

Ensemble refinement of the protein crystal structure of putative tropinone reductase from Arabidopsis thaliana gene At1g07440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Detector	APS-1
Spacegroup name	I 2 2 2
Unit cell lengths	56.335, 76.599, 112.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.100
R-factor	0.234
Rwork	0.234
R-free	0.29500
Structure solution method	Re-refinement using ensemble model
Starting model (for MR)	1xq1
RMSD bond length	0.005
RMSD bond angle	1.100
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Crystallization Conditions

crystal ID	method	pH	temperature	details
1