1QWJ

The Crystal Structure of Murine CMP-5-N-Acetylneuraminic Acid Synthetase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-10
Wavelength(s)	1.00590, 1.00850, 0.95000
Spacegroup name	P 21 21 21
Unit cell lengths	74.048, 79.941, 170.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
Rwork	0.240
R-free	0.30400
Structure solution method	MIR
Starting model (for MR)	HG-MIR structure
RMSD bond length	0.008
RMSD bond angle	1.270 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.089	0.321 *
Number of reflections	25492
<I/σ(I)>	4
Completeness [%]	99.5
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	18 *	Tris-HCl, sodium citrate, PEG 400, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	8 *	18 *	Tris-HCl, sodium citrate, PEG 400, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	100 (mM)	pH8.9
2	1	reservoir	sodium cirtate	200 (mM)
3	1	reservoir	PEG400	20 (%(v/v))
4	1	drop	Tris-HCl	2 (mM)	pH8.0
5	1	drop		150 (mM)
6	1	drop		0.1 (mM)
7	1	drop	protein	10 (mg/ml)