2GEJ

Crystal Structure of phosphatidylinositol mannosyltransferase (PimA) from Mycobacterium smegmatis in complex with GDP-Man

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934000
Spacegroup name	P 21 21 21
Unit cell lengths	37.071, 72.747, 137.166
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.900 - 2.600
R-factor	0.196
Rwork	0.192
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.829
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.903	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.047	0.349
Total number of observations		6110
Number of reflections	12054	1703
<I/σ(I)>	11.5	2.2
Completeness [%]	99.9	100
Redundancy	3.5	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	1 mM GDP, 10-18% PEG 8000, 200 mM CALCIUM ACETATE, 50 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K