5YCX

X-Ray Structure of Enoyl-Acyl Carrier Protein Reductase from Bacillus Anthracis with c-terminal His tag (Apo form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-15
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	80.273, 83.513, 69.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.727 - 1.701
R-factor	0.1889
Rwork	0.187
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qio
RMSD bond length	0.007
RMSD bond angle	0.992
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.063	0.431
Rpim	0.027	0.172
Number of reflections	25641	1235
<I/σ(I)>	38.2	6.9
Completeness [%]	99.5	100
Redundancy	6.9	7.3
CC(1/2)		0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	0.1M Tris-HCl, pH 8.5, 30% PEG4K, 0.2M MgCl2