3NT3

CRYSTAL STRUCTURE OF LSSmKate2 red fluorescent proteins with large Stokes shift

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-26
Detector	ADSC QUANTUM 315
Wavelength(s)	1.08
Spacegroup name	P 1 21 1
Unit cell lengths	71.704, 49.454, 127.171
Unit cell angles	90.00, 93.13, 90.00

Refinement procedure

Resolution	19.990 - 1.500
R-factor	0.1753
Rwork	0.174
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kcs
RMSD bond length	0.012
RMSD bond angle	1.672
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.052	0.040	0.398
Number of reflections	137175
<I/σ(I)>	14.6
Completeness [%]	96.2	97.1	94
Redundancy	4.9	4.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.1 M Na-acetate, 25% PEG 3350, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K