1QXT

Crystal structure of precyclized intermediate for the green fluorescent protein R96A variant (A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-29
Detector	MARRESEARCH
Wavelength(s)	0.78
Spacegroup name	P 21 21 21
Unit cell lengths	51.928, 61.571, 69.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.218
Rwork	0.218
R-free	0.25800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema
RMSD bond length	0.012
RMSD bond angle	28.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066 *	0.372 *
Total number of observations	54856 *
Number of reflections	15550
<I/σ(I)>	18.2	3.3
Completeness [%]	99.0	99.8
Redundancy	3.53

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	used microseeding., Barondeau, D.P., (2002) J.Am.Chem.Soc., 124, 3522. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	reservoir	HEPES	50 (mM)	pH8.0
3	1	reservoir		50 (mM)
4	1	reservoir	PEG4000	19 (%)