2YK4

Structure of Neisseria LOS-specific sialyltransferase (NST).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 2
Unit cell lengths	86.565, 124.735, 41.866
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.070 - 1.940
R-factor	0.19639
Rwork	0.195
R-free	0.22274
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yk5
RMSD bond length	0.017
RMSD bond angle	1.619
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.070	1.970
High resolution limit [Å]	1.940	1.940
Rmerge	0.010	0.050
Number of reflections	34365
<I/σ(I)>	35.5	3.22
Completeness [%]	100.0	99.9
Redundancy	8.8	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.4		PROTEIN WAS CRYSTALLIZED BY VAPOR DIFFUSION METHODS USING DROPS OF PROTEIN MIXED WITH AN EQUAL VOLUME OF PRECIPITANT: 100 MM SODIUM ACETATE (PH 4.2 - 4.4) 1.7 M DI-AMMONIUM SULFATE.