4QIT

Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa in mutant complex form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	70.189, 56.851, 87.307
Unit cell angles	90.00, 97.08, 90.00

Refinement procedure

Resolution	34.907 - 1.400
R-factor	0.1767
Rwork	0.175
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bw2
RMSD bond length	0.006
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.907	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	132614
Completeness [%]	98.6	96.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	30% P550MME_P20K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K