1BKE

HUMAN SERUM ALBUMIN IN A COMPLEX WITH MYRISTIC ACID AND TRI-IODOBENZOIC ACID

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-08
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	187.650, 38.870, 95.910
Unit cell angles	90.00, 105.49, 90.00

Refinement procedure

Resolution	20.000 - 3.150
R-factor	0.1774
Rwork	0.177
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bj5
RMSD bond length	0.006
RMSD bond angle	23.200 *
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	3.320
High resolution limit [Å]	3.150	3.150
Rmerge	0.086	0.222
Number of reflections	11608
<I/σ(I)>	5	3.2
Completeness [%]	97.6	99.1
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5		drop solution was mixed with an equal volume of reservoir solution *

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)