4KW4

Crystal Structure of Green Fluorescent Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-20
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 41 21 2
Unit cell lengths	72.904, 72.904, 113.973
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.054 - 1.746
R-factor	0.1723
Rwork	0.170
R-free	0.20450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.399
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.0)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.746	3.770	1.746
Rmerge	0.088	0.031	0.822
Number of reflections	31923
<I/σ(I)>	8.7
Completeness [%]	99.8	99.2	100
Redundancy	8.3	8.8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	8.2	294	50 mM HEPES pH 8.2, 50 mM MgCl2, 22% PEG4000, hanging drop, temperature 294K