5FYR

Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, myoinositol complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-07
Detector	DECTRIS PILATUS3 6M
Spacegroup name	P 43 21 2
Unit cell lengths	135.443, 135.443, 113.732
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.930 - 1.450
R-factor	0.14722
Rwork	0.145
R-free	0.19184
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fyp
RMSD bond length	0.016
RMSD bond angle	1.666
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.930	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.070	0.600
Number of reflections	184175
<I/σ(I)>	14.5	2.5
Completeness [%]	99.7	95.2
Redundancy	7.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10		PEG3350 24-27%, CAPS/BICINE MIX PH 9.0-10 GRID, BEST CRYSTALS CLOSER TO PH 10, SEEDING FROM PACT H4 (0.2M KSCN, 20% PEG3350, BIS TRIS PROPANE PH 8.5), ORYX ROBOT, 24 WELL PLATE, HANGING DROPS