4L8U

X-ray study of human serum albumin complexed with 9 amino camptothecin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	183.933, 37.999, 94.598
Unit cell angles	90.00, 104.93, 90.00

Refinement procedure

Resolution	45.714 - 2.010
R-factor	0.2
Rwork	0.198
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.185
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MERLOT
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.080
High resolution limit [Å]	2.010	4.330	2.010
Rmerge	0.048	0.029	0.297
Number of reflections	38473
<I/σ(I)>	11.1
Completeness [%]	89.7	84.6	75.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	PEG 3350, POTASSIUM PHOSPHATE, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K. CRYSTALS OF THE COMPLEXES WERE OBTAINED BY STANDARD VAPOR EQUILIBRATION METHODS WITH CONDITIONS OPTIMIZED BY SCREENS VARYING PROTEIN CONCENTRATION, PH, DRUG MOLAR RATIOS, CENTERED ON THE ORIGINAL CRYSTALLIZATION HIT USING PROTOCOLS DESCRIBED PREVIOUSLY FOR THE MONOCLINIC [CARTER, ET AL., EUR. J. BIOCHEMISTRY (1994) 226: 1049-1052] AND TRICLINIC [SUGO, ET AL., PROTEIN ENG (1999) 12: 439-446] CRYSTAL FORMS.