1LDS

Crystal Structure of monomeric human beta-2-microglobulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	77.425, 29.091, 54.644
Unit cell angles	90.00, 121.64, 90.00

Refinement procedure

Resolution	26.700 - 1.800
Rwork	0.187
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1duz
RMSD bond length	0.005
RMSD bond angle	1.500 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.700	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.035 *	0.062 *
Total number of observations	46169 *
Number of reflections	9565 *
<I/σ(I)>	15.8	9.6
Completeness [%]	97.5 *	90.6
Redundancy	3.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	16 *	4-8% (w/v) PEG4000, 20% Isopropanol, 100mM sodium citrate, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 289K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	4-8 (%(w/v))
2	1	reservoir	isopropanol	20 (%(v/v))
3	1	reservoir	sodium citrate	100 (mM)	pH5.7