7OSN

IRED361 from Micromonospora sp. in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2020-09-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 2 21 21
Unit cell lengths	50.000, 142.000, 266.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.550
Rwork	0.260
R-free	0.30700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ocm
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.280	2.610
High resolution limit [Å]	2.550	2.550
Rmerge	0.120	0.910
Rpim	0.040	0.260
Number of reflections	63163	4397
<I/σ(I)>	10.2	1.8
Completeness [%]	100.0	100
Redundancy	12.9	13.4
CC(1/2)	1.000	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.1 M Tris pH 8.5, 20 % PEG 3350 w/v, 0.1 M MgCl2 and 2 mM NADP+