1LS1

T. aquaticus Ffh NG Domain at 1.1A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04-24
Detector	MARRESEARCH
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	99.734, 53.675, 57.836
Unit cell angles	90.00, 119.92, 90.00

Refinement procedure

Resolution	50.000 - 1.100
R-factor	0.13713
Rwork	0.135
R-free	0.16900 *
Structure solution method	MOLECULAR SUBSTITUTION
Starting model (for MR)	1ffh
RMSD bond length	0.024 *
RMSD bond angle	2.086 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.037	0.324
Total number of observations	694235 *
Number of reflections	102368
<I/σ(I)>		3.2
Completeness [%]	95.4	89.9 *
Redundancy	4.27	2.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	295	PEGMME550, MGCl2, TAPS, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	33 (mg/ml)
2	1	reservoir	PEG550 MME	30 (%)
3	1	reservoir		200 (mM)
4	1	reservoir	TAPS	50 (mM)	pH9.0