1MQA

Crystal structure of high affinity alphaL I domain in the absence of ligand or metal

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	2001-11-29
Detector	CUSTOM-MADE
Wavelength(s)	0.9700
Spacegroup name	C 2 2 21
Unit cell lengths	61.864, 121.324, 54.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.500
R-factor	0.249
Rwork	0.249
R-free	0.28700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mq9
RMSD bond length	0.005
RMSD bond angle	24.400 *
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	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.184	0.413
Total number of observations	41352 *
Number of reflections	7271
<I/σ(I)>	8.4	2
Completeness [%]	94.2	60.4
Redundancy	5.7	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	1.2 M ammonium phosphate, pH 8.0, 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	ammonium phosphate	1.2 (M)
3	1	reservoir	Tris-Cl	0.1 (M)	pH8.0