1USF

PUTATIVE STYRENE MONOOXYGENASE SMALL COMPONENT WITH BOUND NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-02-15
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 2
Unit cell lengths	70.684, 77.718, 63.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.490 - 1.300
R-factor	0.211
Rwork	0.211
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1usc
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.350
High resolution limit [Å]	1.300	1.300
Rmerge	0.046	0.361
Number of reflections	82839
<I/σ(I)>	29.9	3.09
Completeness [%]	95.2	82.1
Redundancy	3.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.7	291	VAPOR DIFFUSION METHOD, 3.1 MG/ML OF PROTEIN SOLUTION WAS MIXED WITH RESERVOIR SOLUTION (21% PEG4000, 0.1M SODIUM ACETATE PH 4.7) AND EQUILIBRATED AGAINST RESERVOIR SOLUTION AT ROOM TEMPERATURE (291 K). CRYSTAL WAS SOAKED FOR 4 HOURS IN RESERVOIR SOLUTION CONTAINING 0.005M NADP+, 21% PEG4000, AND 0.1M SODIUM ACETATE PH 4.7. CRYOPROTECTANT: 18% GLYCEROL, 24% PEG4000, 0.1M SODIUM ACETATE PH 4.7