6TKC

ChiLob 7/4 H2 HC-C225S 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	2019-01-24
Detector	DECTRIS PILATUS 12M
Wavelength(s)	2.755
Spacegroup name	P 3 2 1
Unit cell lengths	149.421, 149.421, 45.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.823 - 2.300
Rwork	0.183
R-free	0.23590
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.645
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]	129.400	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.151
Rpim	0.023	0.154
Number of reflections	24537	2058
<I/σ(I)>	19	4.2
Completeness [%]	93.6	85
Redundancy	40.9	34.2
CC(1/2)	0.998	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 4000, HEPES