5IJ5

Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	96.132, 96.132, 144.151
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.010 - 2.550
R-factor	0.192
Rwork	0.189
R-free	0.25330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iih
RMSD bond length	0.044
RMSD bond angle	1.185
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	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.107	0.044
Number of reflections	24491
<I/σ(I)>	7.5
Completeness [%]	99.9	98.6	100
Redundancy	6.2	6	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	289	1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (2.0 M (NH4)2SO4, 0.1 M Na acetate, 0.1 M ZnCl2, final pH 4.5) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen)