1GNI

HUMAN SERUM ALBUMIN COMPLEXED WITH cis-9-OCTADECENOIC ACID (OLEIC ACID)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	298
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	188.386, 38.923, 95.477
Unit cell angles	90.00, 104.86, 90.00

Refinement procedure

Resolution	32.800 - 2.400
R-factor	0.209
Rwork	0.209
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.008
RMSD bond angle	23.300 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.800 *	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.062	0.372
Number of reflections	25527
<I/σ(I)>	4.2	1.8
Completeness [%]	95.2 *	99
Redundancy	2.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	4 *	pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	reservoir	PEG3350	36-37 (%(w/v))
3	1	reservoir	potassium phosphate	50 (mM)	pH7.5