5GU0

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.03586, 1.05777
Spacegroup name	F 4 3 2
Unit cell lengths	180.892, 180.892, 180.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.980 - 1.950
R-factor	0.17871
Rwork	0.177
R-free	0.20494
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.939
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]	1.950
Number of reflections	19055
<I/σ(I)>	65.7	12.8
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