3S4U

Crystal structure of open, unliganded E. coli PhnD H157A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	298
Detector technology	CCD
Collection date	2010-08-20
Detector	RAYONIX MX225HE
Wavelength(s)	0.97929
Spacegroup name	P 42 21 2
Unit cell lengths	103.735, 103.735, 58.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.300
R-factor	0.19833
Rwork	0.194
R-free	0.28867
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.819
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER (for MR)
Refinement software	REFMAC (5.6.0111)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	3.300
Number of reflections	5123
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2 M magnesium chloride, 0.1 M Tris, pH 8.5, 25% w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K