1NMM

beta-1,4-galactosyltransferase mutant Cys342Thr complex with alpha-lactalbumin and GlcNAc

Replaces:  1JN8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9800
Spacegroup name	P 1 21 1
Unit cell lengths	57.019, 95.626, 100.213
Unit cell angles	90.00, 101.37, 90.00

Refinement procedure

Resolution	24.720 - 2.000
R-factor	0.1891
Rwork	0.189
R-free	0.30000 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008 *
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079 *
Total number of observations	265383 *
Number of reflections	71567
<I/σ(I)>	16.6
Completeness [%]	99.7	97.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	PEG 4000, Sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Gal-T1	20 (mg/ml)
2	1	drop	LA	10 (mg/ml)
3	1	reservoir	sodium citrate	100 (mM)	pH5.6
4	1	reservoir	PEG4000	12.5 (%)
5	1	reservoir		100 (mM)