2BXE

Human serum albumin complexed with diflunisal

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	298
Detector technology	CCD
Collection date	2003-11-07
Detector	ADSC CCD
Spacegroup name	P 1
Unit cell lengths	55.410, 55.530, 120.520
Unit cell angles	81.54, 90.09, 65.93

Refinement procedure

Resolution	38.220 - 2.950
R-factor	0.226
Rwork	0.226
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e78
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	3.110
High resolution limit [Å]	2.950	2.950
Rmerge	0.050	0.320
Number of reflections	26848
<I/σ(I)>	9.4	2.4
Completeness [%]	98.4	98.2
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00