1C4W

1.9 A STRUCTURE OF A-THIOPHOSPHONATE MODIFIED CHEY D57C

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	1997-05-10
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	45.620, 47.740, 53.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.840
R-factor	0.208 *
Rwork	0.208
RMSD bond length	0.020
RMSD bond angle	0.043
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	PROTIN/PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.840	1.850
Rmerge	0.074
Total number of observations	84092 *
Number of reflections	10492 *
Completeness [%]		94.1
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	298	PEG 6000, SODIUM ACETATE, PIPES, pH 6.9, VAPOR DIFFUSION/HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	28 (%)
2	1	reservoir	sodium acetate	200 (mM)
3	1	reservoir	PIPES	100 (mM)