2WG9

Structure of Oryza Sativa (Rice) PLA2, complex with octanoic acid

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
Detector	ADSC CCD
Spacegroup name	P 62
Unit cell lengths	109.159, 109.159, 41.394
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.050 - 2.000
R-factor	0.18833
Rwork	0.187
R-free	0.22043
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE P62 STRUCTURE
RMSD bond length	0.008
RMSD bond angle	1.005
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.240
Number of reflections	18061
<I/σ(I)>	12.6	4.2
Completeness [%]	98.4	90.8
Redundancy	3.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	VAPOUR DIFFUSION, 20 DEGREES. WELL CONTAINED 0.75ML OF SOLN A (16-18% PEG3350, 0.1M BISTRISPROPANE PH 6.5, 0.2M POTASSIUM THIOCYANATE) AND 0.25ML OF SOLN B (0.1M SODIUM ACETATE PH 4.6, 2M SODIUM CHLORIDE)