8YFY

CRYSTAL STRUCTURE OF THE EST1 H274D MUTANT AT PH 4.2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2003-09-22
Detector	Bruker DIP-6040
Wavelength(s)	0.9
Spacegroup name	I 2 2 2
Unit cell lengths	58.096, 71.817, 137.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.700 - 1.450
R-factor	0.156
Rwork	0.155
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.314
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.700	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.088	0.234
Number of reflections	46275	46275
<I/σ(I)>	13.6	4.6
Completeness [%]	91.5	78.6
Redundancy	4.3	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	293	12% PEG 3000, 200 MM NACL, 100 MM PHOSPHATE-CITRATE, PH 4.2, VAPOR DIFFUSION, TEMPERATURE 293K