1Q4C

S65T Q80R T203C Green Fluorescent Protein (GFP) pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Spacegroup name	P 21 21 21
Unit cell lengths	50.880, 62.430, 68.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.550
R-factor	0.194
Rwork	0.194
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ema
RMSD bond length	0.010 *
RMSD bond angle	1.670 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000 *
High resolution limit [Å]	1.550
Rmerge	0.057 *	0.423 *
Number of reflections	31021
Completeness [%]	95.3	92.4 *
Redundancy	3.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG 4000, MgCl2, BME, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	22-26 (%)
2	1	reservoir		50 (mM)
3	1	reservoir	2-mercaptoethanol	10 (mM)
4	1	reservoir	HEPES	50 (mM)	pH8.1-8.5
5	1	drop	protein	12-15 (mg/ml)
6	1	drop	HEPES	50 (mM)	pH7.5