6TKD

ChiLob 7/4 H2 HC-C228S F(ab')2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 3 2 1
Unit cell lengths	148.021, 148.021, 46.139
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	128.190 - 1.900
Rwork	0.173
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fax
RMSD bond length	0.011
RMSD bond angle	1.699
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.190	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.109
Rpim	0.047	0.320
Number of reflections	45431	2857
<I/σ(I)>	9.4	2.5
Completeness [%]	99.2
Redundancy	6.9
CC(1/2)	0.996	0.768

Crystallization Conditions

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