4GEM

Crystal structure of Zucchini (K171A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Collection date	2012-04-16
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	55.883, 70.214, 56.938
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	45.848 - 2.206
R-factor	0.1933
Rwork	0.190
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gen
RMSD bond length	0.005
RMSD bond angle	0.949
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.083	0.043	0.270
Number of reflections	19694
<I/σ(I)>	9.6
Completeness [%]	95.0	99.1	87.7
Redundancy	2.8	3.3	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION			vapor diffusion