7KPJ

Crystal structure of Ruminococcus gnavus immunoglobulin binding protein in complex with 338E6 Fab

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	2018-12-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	85.240, 102.191, 118.280
Unit cell angles	90.00, 102.05, 90.00

Refinement procedure

Resolution	83.360 - 2.100
R-factor	0.2299
Rwork	0.229
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dee
RMSD bond length	0.008
RMSD bond angle	0.992
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.360	2.177
High resolution limit [Å]	2.100	2.100
Number of reflections	115284	11391
<I/σ(I)>	21.03
Completeness [%]	99.1	98.16
Redundancy	33.4	32.5
CC(1/2)	0.971	0.307

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	0.2 M calcium chloride, 18% PEG 4000