3GB0

Crystal structure of aminopeptidase PepT (NP_980509.1) from Bacillus cereus ATCC 10987 at 2.04 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162, 0.97959
Spacegroup name	C 1 2 1
Unit cell lengths	141.311, 58.147, 51.368
Unit cell angles	90.00, 91.75, 90.00

Refinement procedure

Resolution	29.463 - 2.040
R-factor	0.171
Rwork	0.169
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.635
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.463	29.463	2.110
High resolution limit [Å]	2.040	4.380	2.040
Rmerge	0.070	0.020	0.556
Number of reflections	26596	5141	4867
<I/σ(I)>		33.2	1.7
Completeness [%]	98.3	97.5	96.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	NANODROP, 10.0% Glycerol, 5.0% PEG 1000, 30.0% PEG 600, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K