3N5I

Crystal structure of the precursor (S250A mutant) of the N-terminal beta-aminopeptidase BapA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2008-09-22
Detector	PSI PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	99.700, 113.700, 126.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.394 - 1.800
R-factor	0.1549
Rwork	0.154
R-free	0.18010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	single chain of PDB code 3N2W w/o aa 231-250
RMSD bond length	0.009
RMSD bond angle	1.138
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.1_357))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.399	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.098	0.452
Number of reflections	131688
<I/σ(I)>	15.64	3.96
Completeness [%]	99.1	99.2
Redundancy	4.4	4.45

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	1.0 - 1.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K