1JOT

STRUCTURE OF THE LECTIN MPA COMPLEXED WITH T-ANTIGEN DISACCHARIDE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	300
Detector technology	AREA DETECTOR
Collection date	1991-07
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 64 2 2
Unit cell lengths	67.600, 67.600, 149.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.200
R-factor	0.172
Rwork	0.172
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	STRUCTURE OBTAINED FROM MAD
RMSD bond length	0.006
RMSD bond angle	29.340 *
Data reduction software	SOFTWARE (CAME WITH THE DETECTOR)
Data scaling software	HAMLIN
Phasing software	X-PLOR (3.85)
Refinement software	X-PLOR (3.85)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.990
High resolution limit [Å]	2.200	2.200
Rmerge	0.036
Total number of observations	98232 *
Number of reflections	10135
<I/σ(I)>	7.84
Completeness [%]	93.5 *
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.5		CONVENTIONAL VAPOR DIFFUSION OF SITTING DROP. 1.0M OF LITHIUM SULFATE BUFFERED WITH 0.2 SODIUM CITRATE AT PH4.5 IN RESERVOIR DROPS MADE OF 15 MICROLITERS OF PROTEIN SOLUTION (10.0 MG/ML) AND EQUAL VOLUMN OF RESERVOIR SOLUTION. ROOM TEMPERATURE., vapor diffusion - sitting drop