1KCS

CRYSTAL STRUCTURE OF ANTIBODY PC282 IN COMPLEX WITH PS1 PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	300
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	52.601, 69.524, 59.359
Unit cell angles	90.00, 95.62, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.209 *
Rwork	0.209
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.529 *
Data reduction software	MAR
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Rmerge	0.102	0.471 *
Number of reflections	14014
<I/σ(I)>	4.9
Completeness [%]	84.0	83.2 *
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	300	20% PEG 8K, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-Cl	50 (mM)	pH7.2
2	1	reservoir	sodium azide	0.05 (%)
3	1	drop	peptide/Fab	10 (mg/ml)