5FEU

Noroxomaritidine/Norcraugsodine Reductase in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 42 2 2
Unit cell lengths	60.377, 60.377, 136.142
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.169 - 1.730
R-factor	0.1801
Rwork	0.179
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ae2
RMSD bond length	0.006
RMSD bond angle	1.032
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.200	1.790
High resolution limit [Å]	1.730	1.730
Rmerge		0.521
Number of reflections	27021
<I/σ(I)>	22	2.4
Completeness [%]	99.7	98.6
Redundancy	13.6	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	20% PEG-8000 100 mM HEPES buffer (pH 7.5).