3S1S

Characterization and crystal structure of the type IIG restriction endonuclease BpuSI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	213.472, 215.732, 73.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.350
R-factor	0.21517
Rwork	0.212
R-free	0.26770
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	1.236
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	2.750	2.460
High resolution limit [Å]	2.200	2.580	2.350
Rmerge	0.095	0.387	0.592
Number of reflections	70485
<I/σ(I)>	11.5	3.7	1.3
Completeness [%]	79.0	99	65.1
Redundancy	4.2	4.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.8 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.8 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.8 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	1.8 M ammonium sulfate, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K