4YBN

Structure of the FAD and Heme binding protein msmeg_4975 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9655
Spacegroup name	C 1 2 1
Unit cell lengths	84.722, 59.876, 89.658
Unit cell angles	90.00, 93.83, 90.00

Refinement procedure

Resolution	44.730 - 1.900
R-factor	0.1763
Rwork	0.174
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID: 2FUR
RMSD bond length	0.019
RMSD bond angle	1.896
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.730	44.730	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.101	0.040	1.109
Total number of observations	264436	2332	17103
Number of reflections	35306
<I/σ(I)>	13	40.8	2.1
Completeness [%]	99.6	98.9	99.2
Redundancy	7.5	6.7	7.6
CC(1/2)	0.998	0.996	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	291.15	20% PEG1500, 4% MPD, 0.1 M citric acid