2V8U

Atomic resolution structure of Mn catalase from Thermus Thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-12-15
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	132.300, 132.300, 132.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.350 - 1.050
R-factor	0.106
Rwork	0.106
R-free	0.12100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.962
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.070
High resolution limit [Å]	1.050	1.050
Rmerge	0.070	0.270
Number of reflections	345906
<I/σ(I)>	17	3
Completeness [%]	99.9	99.5
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9.5		pH 9.5