5GU1

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0385, 1.0578
Spacegroup name	F 4 3 2
Unit cell lengths	181.170, 181.170, 181.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.870 - 2.050
R-factor	0.1871
Rwork	0.185
R-free	0.22265
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.824
Data reduction software	MOLREP
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]	2.050
Number of reflections	16552
<I/σ(I)>	63.2
Completeness [%]	99.9	100
Redundancy	11	11.3

Crystallization Conditions

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