1JHF

LEXA G85D MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-01-01
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 43 21 2
Unit cell lengths	90.020, 90.020, 102.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.800
R-factor	0.24 *
Rwork	0.240
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jhc
RMSD bond length	0.008
RMSD bond angle	1.350
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	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.433
Total number of observations	143898 *
Number of reflections	38550 *	3638 *
<I/σ(I)>	28.4	3.7
Completeness [%]	96.8 *	93.8 *
Redundancy	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	1.8 M ammonium sulfate, 0.1 M BIS-Tris buffer, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	1.8 (M)
2	1	reservoir	Bis-Tris propane	0.1 (M)