9LRQ

Indole monooxygenase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.999873
Spacegroup name	P 1
Unit cell lengths	60.287, 82.427, 93.430
Unit cell angles	65.19, 80.08, 79.15

Refinement procedure

Resolution	30.700 - 1.700
R-factor	0.1793
Rwork	0.177
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.048
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.050	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.095	1.026
Rmeas	0.100	1.074
Rpim	0.029	0.315
Number of reflections	162443	8183
<I/σ(I)>	14	2.9
Completeness [%]	92.6	94
Redundancy	11.4	11.4
CC(1/2)	0.998	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	277	100mM Bis-Tris, 200mM MgCl2, 23% PEG 3350