3DR4

GDP-perosamine synthase K186A mutant from Caulobacter crescentus with bound sugar ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-08
Detector	SBC-3
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	50.099, 151.921, 105.747
Unit cell angles	90.00, 102.09, 90.00

Refinement procedure

Resolution	26.200 - 1.600
Rwork	0.166
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bn1
RMSD bond length	0.013
RMSD bond angle	2.010
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	186452
<I/σ(I)>	11.5	7.6
Completeness [%]	91.9	83.8
Redundancy	6.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	6.5	298	50 mM MES, 10% PEG 8000, 1 mM PLP, 1mM glutamate, pH 6.5, batch, temperature 298K