5JAB

Structure of the biliverdin reductase Rv2074 from Mycobacterium tuberculosis in complex with F420

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	2015-07-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	61.756, 88.620, 98.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.920 - 1.650
R-factor	0.1801
Rwork	0.178
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2asf
RMSD bond length	0.019
RMSD bond angle	1.962
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	65.920	65.920	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.181	0.094	1.261
Number of reflections	65830
<I/σ(I)>	9.3
Completeness [%]	100.0	98.6	99.9
Redundancy	7.1	5.9	6.7
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292.15	27% PEG3350, 0.2M MgCl2, 0.1 M BisTris