4HSW

Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-04-11
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	57.586, 66.731, 69.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.040 - 1.220
R-factor	0.1348
Rwork	0.133
R-free	0.16390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.026
RMSD bond angle	3.548
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.040
High resolution limit [Å]	1.220
Number of reflections	75890
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	32% PEG 4000, 0.2M ammonium sulfate , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K