1SMW

Crystal Structure of Cp Rd L41A mutant in reduced state 2 (soaked)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	113
Detector technology	CCD
Collection date	2003-07-31
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0332
Spacegroup name	H 3
Unit cell lengths	63.042, 63.042, 32.691
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.380
R-factor	0.183
Rwork	0.183
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fhh
RMSD bond length	0.022 *
RMSD bond angle	2.510 *
Data reduction software	CrystalClear
Data scaling software	CrystalClear ((MSC/RIGAKU))
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.470
High resolution limit [Å]	1.380	1.380
Rmerge	0.038 *	0.125 *
Number of reflections	9923
Completeness [%]	99.3	97.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	ammonium sulfate, sodium chloride, sodium dithionite, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.3 (M)
2	1	reservoir	sodium acetate	0.1 (M)	pH4.6
3	1	reservoir	sodium dithionite	10 (mM)