9QDT

Cytochrome c peroxidase YhjA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9393
Spacegroup name	P 41 21 2
Unit cell lengths	101.420, 101.420, 134.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.149 - 2.572
Rwork	0.172
R-free	0.22190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.954
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	2.690
High resolution limit [Å]	2.570	2.570
Rmerge	0.139	1.363
Rpim	0.037	0.359
Number of reflections	23032	2759
<I/σ(I)>	17.1	2.6
Completeness [%]	100.0	100
Redundancy	15.4	15.2
CC(1/2)	0.999	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.8 M Na/K tartrate 100 mM HEPES/NaOH 2.5 mM Na2S2O4