1CVM

CADMIUM INHIBITED CRYSTAL STRUCTURE OF PHYTASE FROM BACILLUS AMYLOLIQUEFACIENS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	22
Detector technology	IMAGE PLATE
Collection date	1999-05-05
Detector	MACSCIENCE
Spacegroup name	P 21 21 21
Unit cell lengths	51.090, 65.010, 105.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.2
Rwork	0.200
R-free	0.27400
RMSD bond length	0.008
RMSD bond angle	27.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.103	0.279
Number of reflections	97153
<I/σ(I)>	12.4
Completeness [%]	90.7
Redundancy	7.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	10% MPD 0.1M MES pH 6.5 2mM CdCl2, VAPOR DIFFUSION, HANGING DROP, temperature 4K

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)