7MNH

V59W mutant of Dehaloperoxidase A from Amphitrite ornata treated with Fluoride

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	CCD
Collection date	2010-10-01
Detector	RAYONIX MX-225
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.699, 67.254, 69.305
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.260 - 1.240
R-factor	0.1683
Rwork	0.167
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qfk
Data reduction software	SCALEPACK
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	1.280
High resolution limit [Å]	1.240	1.240
Rmerge	0.084	0.550
Number of reflections	75146	7502
<I/σ(I)>	3.34
Completeness [%]	97.5
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Protein solution: 8mg/mL protein 20 mM Sodium Cacodylate, pH 6.5 Crystallization: 0.2 M Ammonium Sulfate 30-36% PEG 4000