1QLG

Crystal structure of phytase with magnesium from Bacillus amyloliquefaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	296
Detector technology	IMAGE PLATE
Detector	MACSCIENCE
Spacegroup name	P 21 21 21
Unit cell lengths	51.060, 64.040, 105.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.218
Rwork	0.218
R-free	0.26500
Structure solution method	DIRECT METHODS
Starting model (for MR)	1poo
RMSD bond length	0.008
RMSD bond angle	1.513
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.084	0.317
Number of reflections	17305
<I/σ(I)>	13.5	2.62
Completeness [%]	93.0	87.2
Redundancy	1.07	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	277 *	drop consists of equal volume of protein and precipitant solutions *

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 (%)	precipitant
3	1	reservoir	MES	0.1 (M)	precipitant