6CDG

GID4 fragment in complex with a peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-24
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	36.993, 40.651, 56.717
Unit cell angles	90.00, 98.39, 90.00

Refinement procedure

Resolution	32.900 - 1.600
R-factor	0.2114
Rwork	0.209
R-free	0.24830
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	an unpublished nearly isomorphous crystal structure of GID4
RMSD bond length	0.015
RMSD bond angle	1.604
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.650	40.650	1.630
High resolution limit [Å]	1.600	8.770	1.600
Rmerge	0.076	0.019	1.351
Rmeas	0.089	0.023	1.581
Rpim	0.046	0.013	0.814
Total number of observations	77760	464	3667
Number of reflections	21138		1008
<I/σ(I)>	13.1	59.7	1.1
Completeness [%]	95.4	97.7	90.5
Redundancy	3.7	3.1	3.6
CC(1/2)	0.999	0.999	0.424

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG3350, 0.2M sodium bromide