3PGR

Asp348Arg mutant of EcFadL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-10
Detector	ADSC QUANTUM 315
Wavelength(s)	1.00000
Spacegroup name	P 41 21 2
Unit cell lengths	65.202, 65.202, 288.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.581 - 2.600
R-factor	0.2207
Rwork	0.216
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t16
RMSD bond length	0.007
RMSD bond angle	1.090
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_572))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge		0.644
Number of reflections	25546
<I/σ(I)>		2.7
Completeness [%]	99.9	100
Redundancy		7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	screen solution was 360mM NaCl, 0.1% w/v NaN3 15mM NaPi, 9.9% w/v PEG 4000 pH 7.0, protein dialyzed prior to setup in 10mM NaOAc, 50mM NaCl, 10% glycerol, 0.4% C8E4, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K