2BXH

Human serum albumin complexed with indoxyl sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	298
Detector technology	CCD
Collection date	2002-06-29
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	54.710, 55.200, 119.880
Unit cell angles	81.27, 91.09, 65.29

Refinement procedure

Resolution	35.030 - 2.250
R-factor	0.227
Rwork	0.227
R-free	0.26600
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]	36.300	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.040	0.390
Number of reflections	58748
<I/σ(I)>	10.7	2.5
Completeness [%]	98.7	98.1
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00