6TB2

Structure of human haptoglobin-hemoglobin bound to S. aureus IsdH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	84.100, 86.770, 217.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.460 - 2.900
R-factor	0.237
Rwork	0.235
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wjg 4xs0
RMSD bond length	0.006
RMSD bond angle	1.135
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.460	3.000
High resolution limit [Å]	2.900	2.900
Rmeas	0.084	2.960
Number of reflections	35967	3445
<I/σ(I)>	15.12
Completeness [%]	100.0
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2 M sodium citrate tribasic dihydrate, 20 % w/v PEG 3350