4ZLA

Bestatin complex 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)	0.9184
Spacegroup name	P 1
Unit cell lengths	99.770, 99.690, 96.780
Unit cell angles	81.89, 60.97, 75.39

Refinement procedure

Resolution	30.552 - 1.900
R-factor	0.178
Rwork	0.176
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h8g
RMSD bond length	0.008
RMSD bond angle	1.018
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	96.443	30.552	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.027	0.302
Rmeas	0.097
Rpim	0.069	0.027	0.302
Total number of observations	394571	11963	55259
Number of reflections	230129
<I/σ(I)>	7.9	19.2	2.6
Completeness [%]	92.6	84.5	90.8
Redundancy	1.7	1.8	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	292	6% PEG 2K, 50 mM sodium formate, 5.6 mg/ml protein, 1 mM bestatin