1I8M

CRYSTAL STRUCTURE OF A RECOMBINANT ANTI-SINGLE-STRANDED DNA ANTIBODY FRAGMENT COMPLEXED WITH DT5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	173
Detector technology	CCD
Collection date	1999-09-21
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 65 2 2
Unit cell lengths	171.840, 171.840, 144.568
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.660 - 2.100
R-factor	0.219 *
Rwork	0.220
R-free	0.25830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mlc
RMSD bond length	0.011
RMSD bond angle	27.374 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.294
Total number of observations	489562 *
Number of reflections	72520
<I/σ(I)>	19.3	3.6
Completeness [%]	98.8 *	95.9 *
Redundancy	6.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	22 *	2 M ammonium sulfate, 0.1 M sodium acetate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	5	22 *	2 M ammonium sulfate, 0.1 M sodium acetate, pH 5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	ammonium sulfate
2	1	1	sodium acetate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	DNA-1	14 (mg/ml)
2	1	drop	dT5	5 (M)	excess
3	1	reservoir	sodium acetate	0.1 (M)
4	1	reservoir	ammonium sulfate	1.8-2.0 (M)	pH4.8-5.2