5MFS

The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	120.827, 120.827, 170.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	89.201 - 1.570
R-factor	0.1137
Rwork	0.113
R-free	0.13880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b34
RMSD bond length	0.012
RMSD bond angle	1.137
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.201	89.200	1.600
High resolution limit [Å]	1.570	8.600	1.570
Rmerge	0.187	0.030	2.969
Number of reflections	200123
<I/σ(I)>	16
Completeness [%]	99.9	99.9	98.3
Redundancy	21.4	20	13.3
CC(1/2)	0.999	1.000	0.335

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.M M Sodium malonate