1H5Y

HisF protein from Pyrobaculum aerophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-01-15
Detector	ADSC CCD
Spacegroup name	P 61
Unit cell lengths	105.896, 105.896, 141.828
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.000
R-factor	0.20675
Rwork	0.206
R-free	0.22724
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1thf
RMSD bond length	0.019 *
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.053	0.208
Number of reflections	59658
<I/σ(I)>	25.1	4.7
Completeness [%]	98.3	99.9
Redundancy	3.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6		10MG/ML PROTEIN IN 50MM TRIS PH 7.5, 150MM NACL. 100MM SODIUM CITRATE (PH5.6), 0.9-1.0M AMMONIUM PHOSPHATE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	2	sodium citrate	100 (mM)	pH5.6
3	1	2	ammonium dihydrogen phosphate	0.9-1.0 (M)