4J72

Crystal Structure of polyprenyl-phosphate N-acetyl hexosamine 1-phosphate transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-07
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9753
Spacegroup name	P 21 21 21
Unit cell lengths	95.799, 101.491, 138.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.689 - 3.300
R-factor	0.2269
Rwork	0.223
R-free	0.26490
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.193
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.080	50.000	3.360
High resolution limit [Å]	3.300	8.940	3.300
Rmerge	0.071
Number of reflections	20890
<I/σ(I)>	35.98	67.8	2
Completeness [%]	99.5	96.1	97.3
Redundancy	6.5	6.9	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	20-120 mM magnesium acetate, 9 mM nickel chloride, 50 mM sodium cacodylate, pH 5.6, 45% PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 289.0K