5HOZ

Crystal structure of Equine Serum Albumin (ESA) at pH 9.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 61
Unit cell lengths	93.825, 93.825, 141.348
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.010 - 2.150
R-factor	0.1975
Rwork	0.196
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dqf
RMSD bond length	0.011
RMSD bond angle	1.458
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.010	80.000	2.190
High resolution limit [Å]	2.150	5.840	2.150
Rmerge	0.050	0.025	0.737
Number of reflections	37617
<I/σ(I)>	10.6		1.8
Completeness [%]	98.1	96.3	94.3
Redundancy	5.1	4.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	1 ul of 32 mg/ml protein in 10 mM Tris pH 7.5, 150 mM NaCl was mixed with 1 ul of the well condition (100 mM Tris, 2.4 M Ammonium phosphate, final pH 9.0) and equilibrated against well solution on 15-well Crystallization Plate (Qiagen)