1BJ5

HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-04
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	189.180, 38.960, 96.400
Unit cell angles	90.00, 105.31, 90.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.2244
Rwork	0.224
R-free	0.27920 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	24.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.225
Number of reflections	21836
<I/σ(I)>	5.4	3
Completeness [%]	90.7	65
Redundancy	4.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		CRYSTALS WERE OBTAINED BY VAPOUR DIFFUSION USING THE SITTING DROP TECHNIQUE. EQUAL VOLUMES OF HSA-MYRISTIC ACID COMPLEX (100 MG/ML) WERE MIXED WITH A RESERVOIR SOLUTION CONSISTING OF 25-30% (W/ V) POLYETHYLENE GLYCOL 3350, 50MM POTASSIUM PHOSPHATE PH 7.5. CRYSTALS GREW SPONTANEOUSLY AS CLUSTERS OF RODS. STREAK AND MACROSEEDING WERE USED TO INCREASE CRYSTAL YIELD. CRYSTALS WERE HARVESTED INTO 31% (W/V) PEG 3350, 50MM POTASSIUM PHOSPHATE PH 7.5 CONTAINING 0.1 MM MYRISTIC ACID., vapor diffusion - sitting drop with streak and macroseeding

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	reservoir	PEG3350	25-30 (%(w/v))
3	1	reservoir	potassium phosphate	50 (mM)