5DJ6

Fc Heterodimer Design 6.1 F405W/Y407A + T366M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	193
Detector technology	CCD
Collection date	2013-10-01
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	P 1 21 1
Unit cell lengths	60.104, 67.903, 78.765
Unit cell angles	90.00, 104.32, 90.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.23743
Rwork	0.235
R-free	0.28234
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.562
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0017)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.903	67.903	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge		0.077	0.464
Rmeas	0.156
Rpim	0.081	0.048	0.322
Total number of observations	142042	4453	17977
Number of reflections	40729
<I/σ(I)>	5.1	9.6	2.2
Completeness [%]	97.7	92.4	94.9
Redundancy	3.5	3.5	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	20% PEG 3350 + 200mM Magnesium Formate dihydrate