6K5E

Crystal structure of BioH from Klebsiella pneumonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979617
Spacegroup name	C 2 2 21
Unit cell lengths	107.642, 109.531, 292.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.736 - 2.257
R-factor	0.1951
Rwork	0.191
R-free	0.27630
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.257	2.300
Number of reflections	73488	3509
<I/σ(I)>	16	2.36
Completeness [%]	91.7	89.6
Redundancy	5.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	1.8 M Ammonium sulfate, 1.5% PGE400, 0.1 M HEPES (pH 7.5)