5IJF

Crystal structure of Human Serum Albumin in the presence of 0.5 mM zinc at pH 9.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	78.614, 121.560, 140.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.650
R-factor	0.2171
Rwork	0.213
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ao6
RMSD bond length	0.008
RMSD bond angle	1.160
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	2.700
High resolution limit [Å]	2.650	7.190	2.650
Rmerge	0.068	0.070	0.818
Number of reflections	19741
<I/σ(I)>	11.8
Completeness [%]	98.8	96.6	88.4
Redundancy	7.3	6.3	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	0.2 ul of 90 mg/ml protein in 20 mM K2HPO4 pH 7.5 buffer was mixed with 0.2 ul of the well condition (0.1 M MMT Buffer pH 9.0, 23 % PEG 1500, 1 mM ZnCl2) and equilibrated against well solution in 96 Well 3 drop Crystallization Plate (Swissci)