1HXC

CRYSTAL STRUCTURE OF TEAS C440W

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-05
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 41 21 2
Unit cell lengths	126.125, 126.125, 120.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.250
R-factor	0.278
Rwork	0.278
R-free	0.29600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	2.100
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.900	2.280
High resolution limit [Å]	2.200	2.240
Number of reflections	44489
<I/σ(I)>	12.1	1.7
Completeness [%]	94.0	72.7
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	277	15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO, 1MM DTT, 1.0 MM 1-HYDROXYFARNESYL PHOSPHONATE , pH 6.9 , VAPOR DIFFUSION, HANGING DROP, temperature 277K