7Q17

Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-23
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.91840
Spacegroup name	P 32 2 1
Unit cell lengths	53.083, 53.083, 111.469
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.971 - 1.800
Rwork	0.183
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.010
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.970	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.057	0.972
Number of reflections	17450	2615
<I/σ(I)>	13.73	1.3
Completeness [%]	99.8	99.1
Redundancy	4.31	4.02
CC(1/2)	0.999	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2.40 M ammonium sulfate, 0.5 M Tris-HCl pH 8.5