1H6L

beta-propeller phytase in complex with phosphate and calcium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	297
Spacegroup name	P 21 21 21
Unit cell lengths	50.378, 65.644, 104.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.197
Rwork	0.197
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2poo
RMSD bond length	0.012
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.059	0.271
Total number of observations	250463 *
Number of reflections	32362
<I/σ(I)>	12	3
Completeness [%]	94.7	80.2
Redundancy	7.73	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	277 *	Ha, N.C., (1999) Acta Crystallogr, D55, 691. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	reservoir	MPD	20 (%)
3	1	reservoir	MES	0.1 (M)