6OHI

Crystal Structure of the Debrominase Bmp8 (Apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	P 61 2 2
Unit cell lengths	65.459, 65.459, 288.707
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.690 - 2.270
R-factor	0.19952
Rwork	0.198
R-free	0.23538
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	144.400	2.312
High resolution limit [Å]	2.270	2.272
Rmerge		1.522
Rpim	0.032	0.317
Number of reflections	17455	873
<I/σ(I)>	17.1	2.2
Completeness [%]	97.8	100
Redundancy	21.9	23.7
CC(1/2)	0.990	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	282	2.3 M ammonium sulfate, 0.1 M Bistris propane pH 9.0), 7 mg/mL Bmp8