4KN8

Crystal structure of Bs-TpNPPase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Detector technology	CCD
Collection date	2012-12-08
Detector	RAYONIX MX-225
Wavelength(s)	0.97914
Spacegroup name	P 21 21 21
Unit cell lengths	38.802, 83.268, 175.799
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.171 - 1.502
R-factor	0.1912
Rwork	0.190
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ift
RMSD bond length	0.013
RMSD bond angle	1.454
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_1186)

Data quality characteristics

	Overall
Low resolution limit [Å]	38.802
High resolution limit [Å]	1.500
Number of reflections	91966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M HEPES sodium, 2.0M (NH4)2SO4, 3%(w/v) polyethylene glycol 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K