6O6L

The Structure of EgtB(Cabther) in complex with Hercynine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	277
Detector technology	CCD
Collection date	2016-09-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1 21 1
Unit cell lengths	85.164, 137.513, 85.218
Unit cell angles	90.00, 92.37, 90.00

Refinement procedure

Resolution	45.827 - 2.250
R-factor	0.1881
Rwork	0.187
R-free	0.22090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.969
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Number of reflections	92240	6085
<I/σ(I)>	8.6
Completeness [%]	99.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	277	0.2M Na Acetate, 0.1M Tris Acetate pH 6.5 and 5% PEG 4000