5TJ3

Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99
Spacegroup name	I 4
Unit cell lengths	113.797, 113.797, 71.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.986 - 1.700
R-factor	0.1596
Rwork	0.158
R-free	0.17680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q3q
RMSD bond length	0.003
RMSD bond angle	0.614
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.986	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.287	0.500
Number of reflections	48644
<I/σ(I)>	8.4
Completeness [%]	96.6	85.3
Redundancy	5.4	1.9
CC(1/2)	0.958	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	291	22% PEG3350, 0.1 M sodium acetate, pH 4.4, 0.2 mM ammonium sulfate