7NN5

Crystal structure of beta-2-microglobulin D76K mutant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.98
Spacegroup name	I 1 2 1
Unit cell lengths	51.430, 27.721, 60.048
Unit cell angles	90.00, 96.69, 90.00

Refinement procedure

Resolution	41.240 - 1.242
Rwork	0.192
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxf
RMSD bond length	0.033
RMSD bond angle	2.418
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.240	1.260
High resolution limit [Å]	1.240	1.240
Rpim	0.034	0.405
Number of reflections	23336	844
<I/σ(I)>	13.2	1.8
Completeness [%]	97.2	72.4
Redundancy	3.7	2.7
CC(1/2)	0.999	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	100 nL mother liquor / 200 nL protein 15% Glycerol, 0.1 M NaAcetate pH 4.5-5.5, 28-32%PEG 4000, 0.2 M NH4Acetate