3NWO

Crystal structure of Proline iminopeptidase Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-14
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	71.930, 69.920, 55.630
Unit cell angles	90.00, 93.18, 90.00

Refinement procedure

Resolution	37.940 - 1.900
R-factor	0.138
Rwork	0.136
R-free	0.17300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.412
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.117	0.035	0.527
Number of reflections	24228	302	1049
<I/σ(I)>	12.87	53	2.2
Completeness [%]	94.8	99.3	55.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 3350, 0.2 M sodium citrate, 0.1 M Tris propane, pH 8.5, vapor diffusion, sitting drop, temperature 293K