7EZZ

Crystal structure of Salmonella typhi outer membrane phospholipase (OMPLA) dimer with bound calcium

Replaces:  5DQX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-01-05
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	79.584, 83.448, 95.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.870 - 2.760
R-factor	0.2266
Rwork	0.224
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qd6
RMSD bond length	0.007
RMSD bond angle	1.480
Data scaling software	autoPROC (1.0.5)
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.879	62.879	2.713
High resolution limit [Å]	2.654	7.653	2.654
Rmerge	0.249	0.067	0.931
Rmeas	0.271	0.074	1.014
Rpim	0.106	0.031	0.396
Total number of observations	109007	4923	5217
Number of reflections	17368	867	869
<I/σ(I)>	7.4	16.2	2
Completeness [%]	95.6	98.1	96.6
Redundancy	6.3	5.7	6
CC(1/2)	0.991	0.999	0.721

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	0.1 M sodium iodide, 0.1 M sodium phosphate (pH 7.0), and 33% v/v PEG 300