5H3B

Crystal Structure of SeMet-BioG from Haemophilus influenzae at 1.49 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	44.154, 69.471, 72.034
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	32.450 - 1.492
R-factor	0.1479
Rwork	0.147
R-free	0.18160
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.126
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.4_1496)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.450	32.450	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.082	0.048	0.690
Number of reflections	70407
<I/σ(I)>	10.9
Completeness [%]	99.6	99.6	96.38
Redundancy	7.4	7.4	6.5
CC(1/2)	0.998	0.998	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	289	10%(v/v) iso-propanol, 0.1M citric acid/sodium citrate pH 5.6, 22% PEG 4000