1L5A

Crystal Structure of VibH, an NRPS Condensation Enzyme

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-21
Detector	BRANDEIS - B4
Wavelength(s)	0.9788, 0.9785, 0.9633
Spacegroup name	C 1 2 1
Unit cell lengths	132.595, 161.349, 115.602
Unit cell angles	90.00, 104.81, 90.00

Refinement procedure

Resolution	34.140 - 2.550
R-factor	0.214 *
Rwork	0.214
R-free	0.25900
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.046 *	0.320 *
Number of reflections	73969
<I/σ(I)>	19.1
Completeness [%]	93.9	58.5
Redundancy	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	used microseeding *
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	used microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	reservoir	Tris	200 (mM)	pH8.5
3	1	reservoir	PEG8000	1 (%(w/v))
4	1	reservoir	magnesium formate	60 (mM)