4EMX

Crystal structure analysis of Human Serum Albumin in complex with chloride anions at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0809
Spacegroup name	P 1
Unit cell lengths	58.880, 59.230, 95.610
Unit cell angles	75.17, 87.83, 74.20

Refinement procedure

Resolution	25.500 - 2.300
R-factor	0.1883
Rwork	0.187
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.666
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.566	25.723	2.400
High resolution limit [Å]	2.280	7.210	2.280
Rmerge		0.041	0.367
Total number of observations		3401	19776
Number of reflections	50973
<I/σ(I)>	9.7	14.8	1.9
Completeness [%]	93.1	72	95
Redundancy	2.6	2.7	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2 microL 100 mg/mL protein in 50 mM disodium/monosodium phosphate buffer and 100 mM NaCl were mixed with 2 uL 25% PEG 3350, 50 mM disodium/monosodium phosphate buffer, 100 mM NaCl, pH 7.5, vapor diffusion, hanging drop, temperature 293K