1MQ9

Crystal structure of high affinity alphaL I domain with ligand mimetic crystal contact

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-10-10
Detector	CUSTOM-MADE
Wavelength(s)	1.0700
Spacegroup name	P 41 21 2
Unit cell lengths	35.546, 35.546, 269.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.000
R-factor	0.212
Rwork	0.212
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mjn
RMSD bond length	0.006
RMSD bond angle	23.900 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.094	0.381
Total number of observations	57584 *
Number of reflections	10569
<I/σ(I)>	12.6	3.5
Completeness [%]	82.1 *	67.5
Redundancy	5.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20% PEG 2000 MME, 25 mM MnCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-20 (mg/ml)
2	1	reservoir	PEG2000 MME	20 (%)
3	1	reservoir		0.025 (M)
4	1	reservoir	HEPES-Na	0.1 (M)	pH7.0