6TKE

ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	80
Detector technology	PIXEL
Collection date	2019-08-02
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.755
Spacegroup name	P 3 2 1
Unit cell lengths	148.204, 148.204, 45.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	128.348 - 2.350
Rwork	0.192
R-free	0.24530
Structure solution method	SAD
Starting model (for MR)	6fax
RMSD bond length	0.008
RMSD bond angle	1.585
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.350	2.430
High resolution limit [Å]	2.350	2.350
Rmerge	0.116
Rmeas	0.129
Rpim	0.036	0.771
Number of reflections	22283	1933
<I/σ(I)>	14.5	0.9
Completeness [%]	92.4	83.3
Redundancy	12	10.3
CC(1/2)	0.998	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	PEG 4000, cacodylate