1F98

CRYSTAL STRUCTURE OF THE PHOTOACTIVE YELLOW PROTEIN MUTANT T50V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-12-29
Detector	ADSC QUANTUM 4
Spacegroup name	P 63
Unit cell lengths	67.832, 67.832, 39.359
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.150
R-factor	0.136
Rwork	0.132
R-free	0.17600
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	XFIT
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.190
High resolution limit [Å]	1.150	1.150
Rmerge	0.039	0.067
Total number of observations	116065 *
Number of reflections	35299
<I/σ(I)>	34.9
Completeness [%]	96.2	83.6
Redundancy	3.3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	292	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.5 (M)
2	1	reservoir	HEPES	20 (mM)