1UOJ

CRYSTAL STRUCTURE OF PSEUDOMONAS AERUGINOSA LECTIN 1 IN THE CALCIUM-FREE STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-15
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	49.675, 51.464, 166.787
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.370 - 2.400
Rwork	0.183
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l7l
RMSD bond length	0.016
RMSD bond angle	1.520 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.370	2.480
High resolution limit [Å]	2.400	2.400
Rmerge	0.089	0.360
Total number of observations	114114 *
Number of reflections	17451 *
<I/σ(I)>	7.6715	1.93
Completeness [%]	99.8	99.8
Redundancy	6.5 *	6.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5 *		HANGING DROP: PROTEIN SOLUTION: PA1L 10 MG/ML + DGAL 0.5 MG/ML. RESERVOIR SOLUTION (NH4)2SO4, 1.5 M 20% ISOPROPANOL PH 4.5 2 UL + 2 UL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.5 (M)	pH4.5
3	1	reservoir	isopropanol	20 (%)