6DQ0

sfGFP D133 mutated to 4-nitro-L-phenylalanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-01
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97919
Spacegroup name	P 32 2 1
Unit cell lengths	97.720, 97.720, 154.872
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.860 - 2.048
R-factor	0.1866
Rwork	0.185
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2b3p
RMSD bond length	0.010
RMSD bond angle	1.026
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	2.090
High resolution limit [Å]	2.048	2.048
Number of reflections	53525	2616
<I/σ(I)>	21.36	1.56
Completeness [%]	98.5	97.7
Redundancy	6.6	6.2
CC(1/2)	0.995	0.745

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2 M Ammonium citrate tribasic pH 7.0, 18% PEG3350; protein at 36 mg/mL