4OQW

Crystal structure of mCardinal far-red fluorescent protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	53.200, 136.700, 167.600
Unit cell angles	90.00, 90.10, 90.00

Refinement procedure

Resolution	47.562 - 2.210
R-factor	0.2249
Rwork	0.223
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.861
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.562	47.560	2.270
High resolution limit [Å]	2.210	9.880	2.210
Rmerge	0.131	0.020	0.822
Number of reflections	113638	1227	8239
<I/σ(I)>	5.5	19.57	1.18
Completeness [%]	95.0	87.8	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	300	0.1 M Tris pH 7.6 - 8.0, 0.2 M CaCl2, 10 mM TCEP, 22 - 25% PEG 4000 , VAPOR DIFFUSION, HANGING DROP, temperature 300K