1SPU

STRUCTURE OF OXIDOREDUCTASE

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-03-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	134.460, 166.070, 79.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 * - 2.000
R-factor	0.206 *
Rwork	0.206
Structure solution method	LEAST SQUARES REFINEMENT
Starting model (for MR)	1oac
RMSD bond length	0.010
RMSD bond angle	0.035
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	CCP4 (IMPLEMENTATION OF PROLSQ)
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.057	0.220
Total number of observations	264608 *
Number of reflections	100550
<I/σ(I)>	8.7	3.3
Completeness [%]	83.7	72.9
Redundancy	2.6	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		1.4M SODIUM CITRATE, 0.1M HEPES BUFFER, PH 7.2 PROTEIN SOLUTION CONCENTRATION 6.5 MG/ML INHIBITOR SOAKING SOLUTION 0.375MM 2-HYDRAZINOPYRIDINE MADE UP IN 1.4M SODIUM CITRATE, 0.1M HEPES BUFFER, PH 7.2. CRYSTAL SOAKED FOR 30 DAYS. CRYOPROTECTANT 20% GLYCEROL, 1.44M SODIUM CITRATE BUFFER, PH 6.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	2 (mg/ml)
2	1	drop	potassium phosphate	10 (mM)
3	1	reservoir	sodium citrate	1.1 (M)