7Z1J

Escherichia coli periplasmic phytase AppA, complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-05
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	63.570, 47.630, 65.700
Unit cell angles	90.00, 101.00, 90.00

Refinement procedure

Resolution	49.850 - 1.850
R-factor	0.1518
Rwork	0.148
R-free	0.22680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkl
RMSD bond length	0.007
RMSD bond angle	0.901
Data reduction software	xia2
Data scaling software	pointless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.850	1.916
High resolution limit [Å]	1.850	1.850
Rpim	0.092
Number of reflections	33227	3295
<I/σ(I)>	7.84
Completeness [%]	100.0
Redundancy	7
CC(1/2)	0.988	0.573

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	289	100 mM MES pH 6.5, 18 % w/v PEG 8000, 200 mM calcium acetate.