7BF9

Mutant M107L 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	2014-12-16
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	53.017, 53.017, 111.561
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.157 - 1.800
R-factor	0.18622
Rwork	0.184
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.011
RMSD bond angle	1.602
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	14.730	14.730	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.035	0.015	0.428
Rmeas	0.043	0.018	0.597
Rpim	0.025	0.009	0.414
Total number of observations	43886	291	1989
Number of reflections	17194	111	1019
<I/σ(I)>	13.8	36.7	2.2
Completeness [%]	99.0	69.4	99.9
Redundancy	2.6	2.6	2
CC(1/2)	0.999	0.999	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	1,34 M tri-sodium citrate in 0.5 Tris o pH 8.0