4RMT

Crystal structure of the D98N Beta-2 Microglobulin mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97
Spacegroup name	I 1 2 1
Unit cell lengths	54.780, 28.970, 67.577
Unit cell angles	90.00, 101.89, 90.00

Refinement procedure

Resolution	19.053 - 1.242
R-factor	0.1649
Rwork	0.162
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxf
RMSD bond length	0.013
RMSD bond angle	1.473
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.053	1.260
High resolution limit [Å]	1.240	1.240
Rmerge	0.059	0.569
Number of reflections	28992
<I/σ(I)>	10.4	2.2
Completeness [%]	98.1	98.7
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	27% PEG4000, 15% glycerol, 0.2 M ammonium acetate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K