1SMM

Crystal Structure of Cp Rd L41A mutant in oxidized state

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	62.788, 62.788, 32.797
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.360
R-factor	0.18
Rwork	0.180
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fhh
RMSD bond length	0.021 *
RMSD bond angle	2.700 *
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	1.450
High resolution limit [Å]	1.360	1.360
Rmerge	0.029 *	0.139 *
Number of reflections	10231
Completeness [%]	99.0	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	ammonium sulfate, sodium chloride, 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 (%(w/v)sat)	pH4.0
3	1	reservoir		10 (mM)