7ZA0

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

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	2017-02-28
Detector	AGILENT ATLAS CCD
Wavelength(s)	1.54056
Spacegroup name	P 32 2 1
Unit cell lengths	53.722, 53.722, 112.254
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	13.840 - 2.100
Rwork	0.175
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bsy
RMSD bond length	0.010
RMSD bond angle	1.664
Data reduction software	CrysalisPro
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.840	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.042	0.350
Rmeas	0.052	0.491
Number of reflections	11346	933
<I/σ(I)>	9.6	1.8
Completeness [%]	99.0	98.6
Redundancy	2.6	1.8
CC(1/2)	0.999	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	2.2 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5