4ZBL

Phototoxic fluorescent protein mKillerOrange

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	2015-01-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 31
Unit cell lengths	64.160, 64.160, 47.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.800 - 1.570
R-factor	0.1458
Rwork	0.144
R-free	0.17520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gb3
RMSD bond length	0.023
RMSD bond angle	2.242
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]	50.000	50.000	1.630
High resolution limit [Å]	1.570	3.380	1.570
Rmerge	0.041	0.023	0.240
Rmeas	0.047	0.026	0.284
Rpim	0.024	0.013	0.150
Total number of observations	115789
Number of reflections	29879
<I/σ(I)>	12.4
Completeness [%]	98.1	99.3	96
Redundancy	3.9	3.9	3.5
CC(1/2)		0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293	0.09M citric acid, pH 3.5, 22.5% PEG 3350