2GJJ

Crystal structure of a single chain antibody scA21 against Her2/ErbB2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-16
Detector	MAR CCD 165 mm
Wavelength(s)	1.000
Spacegroup name	I 2 2 2
Unit cell lengths	73.943, 86.630, 178.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.1909
Rwork	0.189
R-free	0.22590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h8n
RMSD bond length	0.008
RMSD bond angle	1.176
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.401
Number of reflections	33345
<I/σ(I)>		2.4
Completeness [%]	98.3	99
Redundancy	3.1	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 10000, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K