1P7K

Crystal structure of an anti-ssDNA antigen-binding fragment (Fab) bound to 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	173
Detector technology	IMAGE PLATE
Collection date	2000-07-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 2
Unit cell lengths	107.666, 156.703, 61.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.140 - 1.750
R-factor	0.197
Rwork	0.197
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i8m
RMSD bond length	0.010
RMSD bond angle	1.700
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.044	0.487
Number of reflections	98022
<I/σ(I)>	21.7	2.1
Completeness [%]	93.5	94.1
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	295	AMMONIUM SULFATE, HEPES, PEG 400, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8.1	295	AMMONIUM SULFATE, HEPES, PEG 400, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 295K