4QR8

Crystal Structure of E coli pepQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	120
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	72.569, 97.440, 126.936
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.450 - 1.999
R-factor	0.1742
Rwork	0.173
R-free	0.21140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.802
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge		0.695
Number of reflections	59597
<I/σ(I)>		2
Completeness [%]	97.0	92.3
Redundancy		3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Bis-Tris, pH 6.5, 19% PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 277K