1Q9O

S45-18 Fab Unliganded

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1.15
Spacegroup name	C 1 2 1
Unit cell lengths	76.400, 170.300, 77.100
Unit cell angles	90.00, 114.40, 90.00

Refinement procedure

Resolution	20.000 * - 1.790
Rwork	0.220
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Fv domain of YST 9.1 Fab unliganded (PDB entry 1MAM)
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.030 *	0.133 *
Total number of observations	234850 *
Number of reflections	75932 *	6553 *
Completeness [%]	90.4 *	78.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	295 *	Nguyen, H.P., (2001) Acta Cryst., D57, 1872. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Fab	6-8 (mg/ml)
2	1	drop	PEG8000	10 (%(w/v))
3	1	drop		25 (mM)	pH7.8
4	1	reservoir	PEG8000	20 (%(w/v))
5	1	reservoir		50 (mM)	pH7.8