4AK5

Native crystal structure of BpGH117

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	83.990, 93.000, 105.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.540 - 1.700
R-factor	0.17535
Rwork	0.174
R-free	0.20653
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.011
RMSD bond angle	1.141
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.960	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.070	0.370
Number of reflections	91258
<I/σ(I)>	17	5.1
Completeness [%]	100.0	100
Redundancy	7.4	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5		15-25% (W/V)POLYETHYLENE GLYCOL 3350, 100 MM AMMONIUM ACETATE (SIGMA), 100MM BIS-TRIS PH 5.5