9FNM

Structure of human haptoglobin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-26
Detector	MAR CCD 300 mm
Wavelength(s)	1.03841
Spacegroup name	C 1 2 1
Unit cell lengths	89.887, 77.639, 65.085
Unit cell angles	90.00, 92.51, 90.00

Refinement procedure

Resolution	28.110 - 2.520
R-factor	0.1948
Rwork	0.191
R-free	0.22720
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.023	2.600
High resolution limit [Å]	2.516	2.516
Rmerge	0.047	0.218
Number of reflections	14717	1148
<I/σ(I)>	20.23	5.45
Completeness [%]	95.6
Redundancy	4.18
CC(1/2)	0.998	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5	277	6% 2-propanol 0.1 M sodium acetate trihydrate 26% PEG MME 550