9FRT

Crystal structure of trans-o-hydroxybenzylidenepyruvate hydratase-aldolase from Pseudomonas fluorescens N3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9334
Spacegroup name	C 1 2 1
Unit cell lengths	199.700, 199.890, 144.150
Unit cell angles	90.00, 133.79, 90.00

Refinement procedure

Resolution	36.040 - 1.960
Rwork	0.139
R-free	0.16840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.815
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.040	2.060
High resolution limit [Å]	1.960	1.960
Rmeas	0.134	0.218
Number of reflections	277447	40163
<I/σ(I)>	5.1	3.4
Completeness [%]	95.6
Redundancy	2
CC(1/2)	0.933	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.4 M Ammonium phosphate monobasic