6H01

Crystal structure of a domain-swapped dark-state sfGFP containing the unnatural amino acid ortho-nitrobenzyl-tyrosine (ONBY) at residue 66

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	291
Detector technology	PIXEL
Collection date	2018-04-07
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 41 21 2
Unit cell lengths	155.324, 155.324, 161.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.317 - 2.776
R-factor	0.2027
Rwork	0.201
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema
RMSD bond length	0.009
RMSD bond angle	1.074
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.930	3.338
High resolution limit [Å]	2.776	2.776
Rmerge	0.055	0.609
Number of reflections	54903
<I/σ(I)>	9.8
Completeness [%]	100.0
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	1.1 M tri-Na-citrate 0.1 M Na-HEPES