5ZI5

Crystal structure of Legionella pneumophila aminopeptidase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-01-11
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	64.543, 101.447, 129.595
Unit cell angles	90.00, 99.29, 90.00

Refinement procedure

Resolution	33.050 - 2.600
R-factor	0.2212
Rwork	0.216
R-free	0.30810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hpo
RMSD bond length	0.011
RMSD bond angle	1.470
Data reduction software	DENZO (2.3.1)
Data scaling software	SCALEPACK (2.2.0)
Phasing software	MOLREP (11.4.05; 02.04.2016)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.050	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.104	0.051	0.552
Rmeas	0.124	0.061	0.656
Rpim	0.066	0.034	0.351
Number of reflections	49943	4661	5058
<I/σ(I)>	12.5		2.3
Completeness [%]	98.1	89.4	100
Redundancy	3.5	3.3	3.4
CC(1/2)	0.993	0.994	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1M SPG, pH 6.0, 25 % PEG 1500