4J89

Different photochemical events of a genetically encoded aryl azide define and modulate GFP fluorescence

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-04
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	52.370, 98.110, 102.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.460 - 2.100
R-factor	0.185
Rwork	0.182
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3p
RMSD bond length	0.019
RMSD bond angle	1.257
Data reduction software	xia2
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.370	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.092	0.642
Number of reflections	31310
<I/σ(I)>	14.6	1.2
Completeness [%]	98.7	100
Redundancy	7.8	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	283	20 mg/mL protein and 100 mM Tris-HCl, 2.4 M (NH4)2SO4, 1+1 microL drop against 85 microL reservoir, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 283K