7W8E

Sweet taste protein Brazzein - R43A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97933
Spacegroup name	P 32 2 1
Unit cell lengths	51.634, 51.634, 60.618
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	18.410 - 1.340
R-factor	0.2102
Rwork	0.209
R-free	0.22530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4heq
RMSD bond length	0.006
RMSD bond angle	0.881
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.420	1.360
High resolution limit [Å]	1.340	1.343
Rmerge	0.115
Rmeas	0.119	0.124
Rpim	0.039	0.055
Number of reflections	20107	20107
<I/σ(I)>	23.2
Completeness [%]	94.0
Redundancy	9.9
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	1.5M NaCl, 1M Na-Citrate pH4.0