4ZI6

Crystal structure of leucine aminopeptidase from Helicobacter pylori

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9
Spacegroup name	P 1
Unit cell lengths	96.310, 99.430, 99.680
Unit cell angles	75.26, 61.08, 82.04

Refinement procedure

Resolution	32.397 - 2.000
R-factor	0.1732
Rwork	0.171
R-free	0.22450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.005
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.142	32.397	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.032	0.315
Rmeas	0.095
Rpim	0.067	0.032	0.315
Total number of observations	310850	11385	37983
Number of reflections	179957
<I/σ(I)>	7.7	18.5	2.2
Completeness [%]	85.1	90.7	77.3
Redundancy	1.7	1.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	100 mM sodium formate, 11% PEG 3350, 5.6 mg/ml protein