1W4W

Ferric horseradish peroxidase C1A in complex with formate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	90
Detector technology	CCD
Collection date	2003-09-26
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	40.330, 68.302, 117.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.870 - 1.550
R-factor	0.198
Rwork	0.198
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1h5a
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.570
High resolution limit [Å]	1.510	1.510
Rmerge	0.070	0.240
Number of reflections	49541
<I/σ(I)>	12.1
Completeness [%]	96.0	78.7
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% PEG8000, 0.2M CA-ACETATE, 0.1 M NA-CACODYLATE PH 6.5, FERULIC ACID AS ADDITIVE STREAK SEEDING, HANGING DROP, 4DEGC