3EBH

Structure of the M1 Alanylaminopeptidase from malaria complexed with bestatin

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	2008-03-15
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	75.651, 108.628, 117.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.470 - 1.650
R-factor	0.1783
Rwork	0.177
R-free	0.20219
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.973
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.21)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.570	46.520	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.064	0.039	0.369
Number of reflections	120212
<I/σ(I)>	8.673	14.8	1.8
Completeness [%]	83.2	98	74.6
Redundancy	2.8	3.5	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapor diffusion, hanging dro	8.5	298	22% (v/v) PEG 8000, 10% (v/v) glycerol, 0.1 M Tris (pH 8.5), 0.2 M MgCl2, vapor diffusion, hanging dro, temperature 298K