1XQ1

X-RAY STRUCTURE OF PUTATIVE TROPINONE REDUCATSE FROM ARABIDOPSIS THALIANA GENE AT1G07440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	110
Detector technology	CCD
Collection date	2004-07-31
Detector	APS-1
Wavelength(s)	0.97934
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
Rwork	0.255
R-free	0.31600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ae1
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.300	50.000	2.150
High resolution limit [Å]	2.100	5.180	2.100
Rmerge	0.052	0.022	0.327
Total number of observations		999	931
Number of reflections	14488
<I/σ(I)>	21.533		5.65
Completeness [%]	99.6	94.5	99.9
Redundancy	5.9		6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10 MG/ML PROTEIN, 12 PERCENT MEPEG 2000, 0.21 M AMMONIUM SULFATE, 0.10 M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K