2X5X

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 CCD
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 - 1.200
R-factor	0.139
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vtv
RMSD bond length	0.011
RMSD bond angle	0.026
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.100	0.430
Number of reflections	124737
<I/σ(I)>	11.1	3.6
Completeness [%]	99.9	99.9
Redundancy	5.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	PHAZ7 WAS CRYSTALLIZED IN THE PRESENCE OF PMSF 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 AND A 0.1 M PMSF STOCK SOLUTION IN ISOPROPANOL WAS ADDED TO THE WELL TO A FINAL CONCENTRATION OF 10 MM.A 1.5 MICROLITER PROTEIN SOLUTION WAS MIXED WITH AN EQUAL VOLUME OF WELL SOLUTION ON SILICONIZED COVERSLIPS.