1QY3

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-06
Detector	MARRESEARCH
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	51.433, 62.650, 70.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.000
R-factor	0.203
Rwork	0.203
R-free	0.24100 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema
RMSD bond length	0.011
RMSD bond angle	27.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
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	0.099 *	0.291 *
Total number of observations	71722 *
Number of reflections	16081
<I/σ(I)>	15	4
Completeness [%]	99.7	98.2
Redundancy	4.46

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 (%)