7FFM

Human serum transferrin with five osmium binding sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.14026
Spacegroup name	C 2 2 21
Unit cell lengths	137.954, 158.211, 107.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.770 - 3.060
R-factor	0.1801
Rwork	0.179
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x1b
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7.2)
Refinement software	PHENIX (1.14_3260:000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	3.120
High resolution limit [Å]	3.060	7.870	3.060
Rmerge	0.079	0.038	0.443
Rmeas	0.085	0.041	0.473
Rpim	0.030	0.015	0.164
Number of reflections	26385	1421	1288
<I/σ(I)>	10.8
Completeness [%]	100.0	99.2	100
Redundancy	8.2	7.7	8.2
CC(1/2)		0.998	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	PIPES-Na 100mM pH 6.5, di-sodium malonate 8mM, PEG3350 17%, glycerol 18%