4F4O

Structure of the Haptoglobin-Haemoglobin Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-10-13
Detector	PSI PILATUS 6M
Wavelength(s)	1 .0
Spacegroup name	P 21 21 21
Unit cell lengths	72.880, 197.780, 322.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.2116
Rwork	0.211
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qpw 2qyo
RMSD bond length	0.012
RMSD bond angle	1.620
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	5.000	3.000
High resolution limit [Å]	2.900	4.000	2.900
Rmerge	0.110	0.067	0.724
Number of reflections	103264
<I/σ(I)>	13.7	21.53	2.03
Completeness [%]	99.0	99.5	94.6
Redundancy	4.37	4.32	4.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	18% PEG3350 10% Jeffamine M-600 200 mM Ammonium Citrate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K