7UQA

Crystal structure of the small Ultra-Red Fluorescent Protein (smURFP)

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	CCD
Collection date	2016-07-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	81.087, 141.802, 171.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.572 - 2.802
R-factor	0.2406
Rwork	0.239
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4PO5 CHAIN E
RMSD bond length	0.003
RMSD bond angle	0.619
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.140	1.190
Number of reflections	24645	2435
<I/σ(I)>	9.99	1.25
Completeness [%]	99.5	99.8
Redundancy	3.9	3.6
CC(1/2)	0.994	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4M NaNO3, 33.3mM NaCH3COO.3H2O (pH 4.6)