1JHH

LEXA S119A 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	89.750, 89.750, 102.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.23 *
Rwork	0.230
R-free	0.27300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jhc
RMSD bond length	0.007
RMSD bond angle	1.410
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	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.397
Total number of observations	165809 *
Number of reflections	24564	1417 *
<I/σ(I)>	26.6	6.9
Completeness [%]	99.8	99.5 *
Redundancy	6.7	5.9

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)