4YR1

Crystal Structure of E. Coli Alkaline Phosphatase D101A/D153A in complex with inorganic phosphate

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	2014-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 63 2 2
Unit cell lengths	161.420, 161.420, 140.051
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.890 - 2.240
R-factor	0.219
Rwork	0.217
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.104
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	Aimless (0.3.6)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (refmac_5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.890	52.890	2.310
High resolution limit [Å]	2.240	9.250	2.240
Rmerge	0.438	0.055	3.135
Rpim	0.096	0.012	0.719
Total number of observations	1117848	19503	87038
Number of reflections	51846
<I/σ(I)>	7.8	31.3	1.4
Completeness [%]	100.0	99.6	100
Redundancy	21.6	22.3	19.7
CC(1/2)	0.996	0.999	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	PEG 3350, Bis-Tris, ammonium sulfate, glycerol (cryo-protectant)