6KQU

Crystal structure of phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	277
Detector technology	CCD
Collection date	2015-06-11
Detector	OXFORD RUBY CCD
Wavelength(s)	1.5418
Spacegroup name	P 21 2 2
Unit cell lengths	48.839, 61.117, 63.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.800 - 2.000
R-factor	0.1991
Rwork	0.197
R-free	0.23850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wzm
RMSD bond length	0.013
RMSD bond angle	1.685
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.30)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	18.800	18.800	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.143	0.067	0.439
Rmeas	0.149	0.073	0.471
Rpim	0.043	0.027	0.168
Total number of observations	148885	1039	7348
Number of reflections	13357	161	980
<I/σ(I)>	21.1	62.9	5.3
Completeness [%]	99.9	88.7	100
Redundancy	11.1	6.5	7.5
CC(1/2)	0.995	0.995	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	2.2M Sodium chloride, 0.1M BIS-TRIS propane pH 7.0