3PDW

Crystal structure of putative p-nitrophenyl phosphatase from Bacillus subtilis

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	2010-03-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	C 1 2 1
Unit cell lengths	94.190, 38.878, 81.031
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	32.594 - 1.596
R-factor	0.1855
Rwork	0.184
R-free	0.21060
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.010
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall
Low resolution limit [Å]	32.594
High resolution limit [Å]	1.596
Number of reflections	36822
Completeness [%]	93.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	30% PEG 4000, 0.1M Sodium citrate, 0.2M Ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K