1KCB

Crystal Structure of a NO-forming Nitrite Reductase Mutant: an Analog of a Transition State in Enzymatic Reaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-11-30
Detector	FUJI
Wavelength(s)	1.0
Spacegroup name	P 21 3
Unit cell lengths	98.160, 98.160, 98.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 1.650
Rwork	0.170
R-free	0.20400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1nie
RMSD bond length	0.006
RMSD bond angle	1.520
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.690
High resolution limit [Å]	1.650 *	1.650
Rmerge	0.052	0.250
Total number of observations	393521 *
Number of reflections	37954 *
<I/σ(I)>	48.2	3.7
Completeness [%]	99.9 *	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	15 *	ammonium sulfate, Potassium Phosphate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	reservoir	phosphate	0.1 (M)	pH4.0
3	1	reservoir	ammonium sulfate	33 (%sat)
4	1	reservoir	MPD	5 (%)