4YWN

Crystal structure of NADH-FMN oxidoreductase from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-18
Detector	RAYONIX MX-225
Wavelength(s)	0.978720
Spacegroup name	P 41 21 2
Unit cell lengths	50.260, 50.260, 229.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.812 - 1.800
R-factor	0.1806
Rwork	0.179
R-free	0.21530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pft
RMSD bond length	0.006
RMSD bond angle	0.993
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.072	0.050	0.472
Rmeas	0.075	0.054	0.493
Total number of observations	335089
Number of reflections	28598	414	2041
<I/σ(I)>	20.56	35.35	4.93
Completeness [%]	99.9	95.6	99.9
Redundancy	11.7		12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	290	20 mg/mL MyavA.00250.a.A1.PS00591 against JCSG a3 (optimization: 22% PEG3350, 200 mM ammonium citrate dibasic), cryoprotectant: 20% ethylene glycol, tray 247348, puck wuf3-10