4KW9

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)	1.28
Spacegroup name	P 41 21 2
Unit cell lengths	72.798, 72.798, 114.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.330 - 1.800
R-factor	0.1778
Rwork	0.175
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.397
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.0)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.102	0.046	0.765
Number of reflections	29365
<I/σ(I)>	8.1
Completeness [%]	99.9	99.4	100
Redundancy	6.3	6.6	5.5

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