1GWH

Atomic resolution structure of Micrococcus Lysodeikticus catalase complexed with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1994-09-15
Detector	RAXIS
Spacegroup name	P 42 21 2
Unit cell lengths	106.700, 106.700, 106.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.000 * - 1.750 *
R-factor	0.1113 *
Rwork	0.111
R-free	0.13830 *
Structure solution method	OTHER
RMSD bond length	0.014
RMSD bond angle	1.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.1.11)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000 *
High resolution limit [Å]	1.750 *	1.750 *
Rmerge	0.073 *	0.095 *
Number of reflections	54476 *
<I/σ(I)>	24.4
Completeness [%]	87.7 *	43.7 *
Redundancy	5.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.2		pH 5.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20-30 (mg/ml)
2	1	drop	ammonium sulfate	0.6-0.8 (M)
3	1	drop	sodium acetate	0.05 (M)	pH5.2
4	1	reservoir	ammonium sulfate	1.2-1.4 (M)