6CCT

Fragment of GID4 in complex with a short peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	40.140, 40.140, 203.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.300 - 2.400
R-factor	0.2219
Rwork	0.218
R-free	0.25960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	early version of model from PDB entry 6CCR
RMSD bond length	0.014
RMSD bond angle	1.638
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.670	101.670	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.051	0.040	1.050
Rmeas	0.053	0.042	1.102
Rpim	0.016	0.013	0.326
Total number of observations	125391	1745	9110
Number of reflections	10614		827
<I/σ(I)>	22.4	50.2	1.8
Completeness [%]	100.0	99.7	100
Redundancy	11.8	8.6	11
CC(1/2)	0.999	0.998	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 2% Tacsimate pH 7.0 and 0.1M HEPES pH 7.5