6JHM

Crystal structure of Flavin-dependent Monooxygenase HadA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER TURBO X-RAY SOURCE
Temperature [K]	100
Detector technology	CMOS
Collection date	2017-11-22
Detector	BRUKER PHOTON 100
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	97.924, 128.143, 182.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.690 - 2.300
R-factor	0.2028
Rwork	0.200
R-free	0.26050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g5e
RMSD bond length	0.011
RMSD bond angle	1.483
Data reduction software	PROTEUM PLUS
Data scaling software	Aimless (0.6.3)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.790	20.680	2.340
High resolution limit [Å]	2.300	12.600	2.300
Rmerge	0.125	0.053	0.508
Rmeas	0.131	0.056	0.549
Rpim	0.038	0.017	0.206
Number of reflections	102154	516	5024
<I/σ(I)>	13.7
Completeness [%]	99.8	72.8	99.9
Redundancy	11	9.6	7
CC(1/2)	0.996	0.992	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	298	0.1 M Bis-Tris propane pH 6.5, 0.35 M sodium citrate tribasic dihydrate and 24% w/v PEG3350