6UJ6

X-ray Crystal Structure of Chromium-transferrin with Synergistic Anion Malonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	CCD
Collection date	2018-08-17
Detector	MAR CCD 165 mm
Wavelength(s)	1.38
Spacegroup name	C 2 2 21
Unit cell lengths	137.046, 158.031, 107.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.220 - 2.680
R-factor	0.2224
Rwork	0.220
R-free	0.27020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyt
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.770
High resolution limit [Å]	2.670	5.750	2.670
Rmerge	0.221	0.050	0.677
Rmeas	0.238	0.054	0.750
Rpim	0.088	0.021	0.313
Total number of observations	225779
Number of reflections	32784	3530	2511
<I/σ(I)>	5.4
Completeness [%]	97.4	99.9	75.4
Redundancy	6.9	6.9	4.9
CC(1/2)		0.997	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	HEPES, disodium malonate, PEG 3350, glycerol