1H2F

BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with trivanadate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-15
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	55.758, 55.758, 163.586
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.214
Rwork	0.214
R-free	0.24300
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	22.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.155	0.554
Number of reflections	17334
<I/σ(I)>	15.8	2.1
Completeness [%]	95.2	88.2
Redundancy	4.9	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	22 *	15 % ETHYLENE GLYCOL, 85 MM SODIUM CACODYLATE PH 4.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	10.0 (mM)	pH7.4
2	1	drop	dithiothreitol	1.0 (mM)
3	1	drop	EDTA	2.0 (mM)
4	1	drop		150.0 (mM)
5	1	drop	protein	25 (mg/ml)
6	1	reservoir	AMP substrate	25 (mM)