2X76

The crystal structure of PhaZ7 at atomic (1.2 Angstrom) resolution reveals details of the active site and suggests a substrate binding mode

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-20
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 2
Unit cell lengths	49.630, 140.580, 56.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-free	0.17800
Structure solution method	DIRECT METHODS
Starting model (for MR)	2x5x
RMSD bond length	0.011
RMSD bond angle	0.027
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.490
High resolution limit [Å]	1.450	1.450
Rmerge	0.100	0.430
Number of reflections	71446
<I/σ(I)>	13.1	4.1
Completeness [%]	99.9	99.8
Redundancy	5.9	5.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	PHAZ7 WAS CRYSTALLIZED USING THE HANGING DROP VAPOR DIFFUSION METHOD AT 16 C. THE WELL SOLUTION CONSISTED OF 20% W/V PEG3350 AND 0.2 M NA IODIDE. A 1.5 MICROLITRES PROTEIN SOLUTION WAS MIXED WITH AN EQUAL VOLUME OF WELL SOLUTION ON SILICONIZED COVERSLIPS.