5GU3

Crystal structure of Au(E).CL-apo-E45C/R52C-rHLFr

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03586
Spacegroup name	F 4 3 2
Unit cell lengths	181.502, 181.502, 181.502
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.200 - 2.030
R-factor	0.19203
Rwork	0.189
R-free	0.24416
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.020
RMSD bond angle	1.841
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.030
Number of reflections	17103
<I/σ(I)>	63.7	11.5
Completeness [%]	100.0	99.9
Redundancy	10.9	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Ammonium sulphate, Cadmium sulphate