1IQC

Crystal structure of Di-Heme Peroxidase from Nitrosomonas europaea

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	88.134, 55.111, 144.000
Unit cell angles	90.00, 103.60, 90.00

Refinement procedure

Resolution	50.000 * - 1.800
R-factor	0.222 *
Rwork	0.222
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.370 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.031	0.130 *
Total number of observations	393924 *
Number of reflections	119903
<I/σ(I)>	13	5.3
Completeness [%]	96.0	89.1
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	Pappa, H., (1996) J.STRUCT.BIOL., 116, 429. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.1 (mM)
2	1	reservoir	PEG8000	12.5 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5