4NX8

Structure of a PTP-like phytase from Bdellovibrio bacteriovorus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-10
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	53.640, 78.560, 69.820
Unit cell angles	90.00, 93.13, 90.00

Refinement procedure

Resolution	34.222 - 1.698
R-factor	0.1581
Rwork	0.156
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2psz
RMSD bond length	0.017
RMSD bond angle	1.648
Data reduction software	XDS
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.222	34.222	1.790
High resolution limit [Å]	1.698	5.370	1.698
Rmerge		0.054	0.433
Total number of observations		6882	27255
Number of reflections	63333
<I/σ(I)>	7.2	9.6	1.4
Completeness [%]	99.2	98.8	94.7
Redundancy	3.4	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	200 mM MgCl2, 100 mM Tris-HCl (7.0), 8-10% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K