7OUJ

Crystal structure of the flavoprotein monooxygenase RubL from rubromycin biosynthesis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-09
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	I 1 2 1
Unit cell lengths	77.323, 57.514, 122.379
Unit cell angles	90.00, 95.18, 90.00

Refinement procedure

Resolution	37.778 - 1.573
Rwork	0.183
R-free	0.20950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ihg
RMSD bond length	0.012
RMSD bond angle	1.702
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.080	1.660
High resolution limit [Å]	1.570	1.570
Rmerge	0.046	0.550
Number of reflections	70014	10481
<I/σ(I)>	9.4
Completeness [%]	94.0
Redundancy	2.4
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	20 mM DL-Arginine hydrochloride, 20 mM DL-Threonine, 20 mM DL-Histidine monohydrochloride monohydrate, 20 mM DL-5-Hydroxylysine hydrochloride, 20 mM trans-4-hydroxy-L-proline, 100 mM BES/TEA pH 7.5 buffer system, 12.5% PEG 4000 and 20% 1,2,6-Hexanetriol