7NMR

Crystal structure of beta-2-microglobulin D76S mutant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	I 1 2 1
Unit cell lengths	53.339, 28.795, 63.004
Unit cell angles	90.00, 96.93, 90.00

Refinement procedure

Resolution	38.200 - 1.150
Rwork	0.148
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxf
RMSD bond length	0.017
RMSD bond angle	1.893
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.200	1.170
High resolution limit [Å]	1.150	1.150
Rpim	0.031	0.916
Number of reflections	33548	1614
<I/σ(I)>	10.7	0.8
Completeness [%]	98.6	98.4
Redundancy	2.8	2.8
CC(1/2)	0.998	0.504

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