5GU2

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03895
Spacegroup name	F 4 3 2
Unit cell lengths	181.079, 181.079, 181.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.360 - 2.120
R-factor	0.18755
Rwork	0.185
R-free	0.22863
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dat
RMSD bond length	0.020
RMSD bond angle	1.845
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.120
Number of reflections	14946
<I/σ(I)>	60.7	11.1
Completeness [%]	99.9	100
Redundancy	11.5	11.5

Crystallization Conditions

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