4P7L

Structure of Escherichia coli PgaB C-terminal domain, P212121 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	41.764, 78.213, 97.924
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.962 - 1.802
R-factor	0.1451
Rwork	0.142
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f9d
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1615))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.104	0.599
Number of reflections	30391
<I/σ(I)>	26.8	5.1
Completeness [%]	97.5	96.4
Redundancy	13.5	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% PEG3350, 0.1 M Bis-Tris