6DQ1

sfGFP N149 mutated to 4-nitro-L-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	P 41 2 2
Unit cell lengths	55.302, 55.302, 166.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.067 - 1.598
R-factor	0.162
Rwork	0.161
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3p
RMSD bond length	0.009
RMSD bond angle	1.005
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER ((in Phenix))
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.598	1.598
Number of reflections	35157	1706
<I/σ(I)>	36.83	2.33
Completeness [%]	99.4	98.8
Redundancy	13.9	13.6
CC(1/2)	0.993	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1200 mM Malic Acid