7BF7

Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Agilent SuperNova
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-04
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	53.344, 53.344, 111.869
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.769 - 2.100
R-factor	0.20738
Rwork	0.203
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.010
RMSD bond angle	1.722
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	13.770	13.770	2.170
High resolution limit [Å]	2.100	8.400	2.100
Rmerge	0.061	0.024	0.285
Rmeas	0.074	0.030	0.391
Rpim	0.041	0.018	0.265
Total number of observations	29028	354	1943
Number of reflections	11130	166	982
<I/σ(I)>	7.9	17.1	1.7
Completeness [%]	98.8	77.7	96.8
Redundancy	2.6	2.1	2
CC(1/2)	0.997	0.999	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.8 M ammonium sulfate in 0.5 M Tris-HCl pH 8.0