5BUK

Structure of flavin-dependent chlorinase Mpy16

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	2015-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	62.831, 73.276, 189.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.080 - 1.950
R-factor	0.1725
Rwork	0.170
R-free	0.21210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e1t
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.089
Number of reflections	64779
<I/σ(I)>	37.63	3
Completeness [%]	100.0	99.8
Redundancy	12	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	PEG4000