3GWB

Crystal structure of peptidase M16 inactive domain from Pseudomonas fluorescens. Northeast Structural Genomics target PlR293L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	119.673, 64.841, 114.972
Unit cell angles	90.00, 96.39, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.2037
Rwork	0.204
R-free	0.24000
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.342
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.079	0.280
Number of reflections	118245
<I/σ(I)>	11
Completeness [%]	93.0	83
Redundancy	1.7	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	7	277	0.1 M KH2PO4, 0.1 M Tris-HCl pH 4.0, 40% PEG 4000, MICROBATCH UNDER OIL, temperature 277.0K
1	MICROBATCH UNDER OIL	7	277	0.1 M KH2PO4, 0.1 M Tris-HCl pH 4.0, 40% PEG 4000, MICROBATCH UNDER OIL, temperature 277.0K
1	MICROBATCH UNDER OIL	7	277	0.1 M KH2PO4, 0.1 M Tris-HCl pH 4.0, 40% PEG 4000, MICROBATCH UNDER OIL, temperature 277.0K