6CD9

GID4 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	2016-08-16
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	38.270, 40.022, 110.727
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.600 - 1.550
R-factor	0.1744
Rwork	0.173
R-free	0.19280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	early version of PDB entry 6ccr
RMSD bond length	0.014
RMSD bond angle	1.633
Data reduction software	XDS
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]	38.270	38.270	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.053	0.020	0.423
Rmeas	0.057	0.023	0.463
Rpim	0.022	0.010	0.186
Total number of observations	168776	1067	7208
Number of reflections	25493		1200
<I/σ(I)>	27.2	74.2	4.5
Completeness [%]	99.7	99.3	98
Redundancy	6.6	5.2	6
CC(1/2)	0.999	0.999	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	24% PEG3350, 2.8% Tacsimate pH 7.0 and 0.1M HEPES pH 7.5