4W82

Enoyl-acyl carrier protein-reductase domain from human fatty acid synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 1
Unit cell lengths	42.310, 59.040, 61.430
Unit cell angles	94.96, 101.11, 95.09

Refinement procedure

Resolution	44.267 - 1.700
R-factor	0.1877
Rwork	0.187
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vz8
RMSD bond length	0.008
RMSD bond angle	1.117
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1745))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.270	44.270	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.119	0.046	1.221
Rpim	0.070	0.027	0.711
Total number of observations	231847	1609	12359
Number of reflections	59723
<I/σ(I)>	8.3	24	1.2
Completeness [%]	93.9	97	93.4
Redundancy	3.9	3.8	3.9
CC(1/2)	0.993	0.995	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	296	100 mM Bis Tris pH 6.5, 100 mM MgCl2, 19% (w/v) PEG 3350