5DQP

EDTA monooxygenase (EmoA) from Chelativorans sp. BNC1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 43 2 2
Unit cell lengths	87.332, 87.332, 262.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.021 - 2.146
R-factor	0.1915
Rwork	0.190
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yw1
RMSD bond length	0.009
RMSD bond angle	0.973
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.020	2.180
High resolution limit [Å]	2.146	2.146
Rmerge	0.191	1.194
Number of reflections	56556
<I/σ(I)>	9.2	3.6
Completeness [%]	99.8	97.7
Redundancy	10.1	8.9
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M HEPES pH 7.5, 2% (w/v) PEG 400, and 1.75 M ammonium sulfate