5KOW

Structure of rifampicin monooxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2015-10-18
Detector	RDI CMOS_8M
Wavelength(s)	1.000
Spacegroup name	P 65 2 2
Unit cell lengths	81.489, 81.489, 282.224
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.118 - 2.100
R-factor	0.1892
Rwork	0.187
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k2x
RMSD bond length	0.006
RMSD bond angle	0.829
Data reduction software	XDS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.120	63.120	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.103	0.032	0.530
Number of reflections	61187
<I/σ(I)>	25.6
Completeness [%]	100.0	99.5	100
Redundancy	19.7	16.1	16.9
CC(1/2)	0.999	0.999	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	The reservoir contained 2.4 M sodium acetate trihydrate at pH 7.0