4ZFS

Phototoxic Fluorescent Protein KillerOrange

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-15
Detector	RAYONIX MX300HS
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	128.930, 202.064, 116.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.850 - 2.010
R-factor	0.1923
Rwork	0.192
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zbl
RMSD bond length	0.019
RMSD bond angle	2.062
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.124	0.081	0.435
Rmeas	0.127	0.083	0.450
Rpim	0.030	0.020	0.113
Total number of observations	1724142
Number of reflections	101443
<I/σ(I)>	8
Completeness [%]	100.0	100	100
Redundancy	17	17.4	14.7
CC(1/2)		0.998	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.02M Na acetate, 1% gamma-PGA (Na+ form, LM), 3% PEG 4000