2EUP

Cytochrome c peroxidase (CCP) in complex with 2-amino-5-picoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2005-03-09
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	43.400, 73.430, 104.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.400
R-factor	0.153
Rwork	0.152
R-free	0.18100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1AEE
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.400	1.400
Rmerge	0.052
Number of reflections	62656
<I/σ(I)>	12.4
Completeness [%]	94.2	71.7
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	50 mM KPi 20 % MDP, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K