1MUN

CATALYTIC DOMAIN OF MUTY FROM ESCHERICHIA COLI D138N MUTANT

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	82.500, 49.000, 69.400
Unit cell angles	90.00, 122.90, 90.00

Refinement procedure

Resolution	20.000 - 1.200
R-factor	0.124
R-free	0.16900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NATIVE MUTY
RMSD bond length	0.010
RMSD bond angle	0.030
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.200	1.200
Rmerge	0.053 *
Total number of observations	137211 *
Number of reflections	65781
Completeness [%]	91.0
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5 *	15 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop		400 (mM)
3	1	drop	glycerol	20 (%)
4	1	drop	ammonium sulfate	2.2 (M)
5	1	drop	imidazole/malate	100 (mM)