2QU1

Crystal Structure of a Cyclized GFP Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-01
Detector	BRUKER PROTEUM-R
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	51.460, 61.990, 70.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.424 - 1.700
R-factor	0.171
Rwork	0.168
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g6e
RMSD bond length	0.012
RMSD bond angle	1.548
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.200	70.200	1.750
High resolution limit [Å]	1.700	4.750	1.700
Rmerge	0.098	0.048	0.683
Number of reflections	25086
<I/σ(I)>	28.27	98.21	2.93
Completeness [%]	99.0	99.8	96.8
Redundancy	29.45	70.28	5.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Protein solution (4.95 mg/ml Protein, 0.050 M Sodium chloride, 0.0003 M TCEP, 0.005 M Bis-Tris pH 7.0) mixed in a 1:1 ratio with the Well solution (0.080 M Calcium chloride, 15% PEG 4000, 0.1 M HEPPS pH 8.5) and cryoprotected with well solution supplemented with 20% Glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K