2C0U

Crystal Structure of a Covalent Complex of Nitroalkane Oxidase Trapped During Substrate Turnover

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-19
Detector	ADSC CCD
Wavelength(s)	0.9794, 0.9611, 0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	90.390, 163.739, 173.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.200
R-factor	0.2014
Rwork	0.201
R-free	0.23220
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.089
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.110	0.530
Number of reflections	130755
<I/σ(I)>	6	1.5
Completeness [%]	99.9	99.9
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		20%(W/V) PEG 1500, 300MM AMMONIUM SULPHATE, 150 MM PIPES PH 7.5, 10 MM TCEP-HCL