4QO2

Crystal structure of rhomboid intramembrane protease GlpG in complex with peptide derived inhibitor Ac-IATA-cmk

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-25
Detector	RAYONIX MX-225
Wavelength(s)	0.9201
Spacegroup name	P 63
Unit cell lengths	97.990, 97.990, 66.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.990 - 2.100
R-factor	0.16387
Rwork	0.163
R-free	0.18011
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ic8
RMSD bond length	0.011
RMSD bond angle	1.019
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.990	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	21305
Completeness [%]	99.8	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	10% PEG 3000, 0.1 M Imidazole pH 8.0, 0.2 M Lithium sulphate, VAPOR DIFFUSION, SITTING DROP, temperature 293K