4P7O

Structure of Escherichia coli PgaB C-terminal domain, P1 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	2012-10-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.08
Spacegroup name	P 1
Unit cell lengths	41.618, 54.016, 86.460
Unit cell angles	101.70, 98.30, 90.19

Refinement procedure

Resolution	41.864 - 1.480
R-factor	0.221
Rwork	0.221
R-free	0.25320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4p7l
RMSD bond length	0.006
RMSD bond angle	1.075
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	1.530
High resolution limit [Å]	1.480	1.480
Rmerge	0.057	0.299
Number of reflections	126137
<I/σ(I)>	11.3	2.4
Completeness [%]	94.1	90.4
Redundancy	3	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	30% PEG5000 MME, 0.2 M ammonium sulfate, 0.1 M MES