1MIE

Crystal Structure Of The Fab Fragment of Esterolytic Antibody MS5-393

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978
Spacegroup name	C 1 2 1
Unit cell lengths	138.858, 40.084, 81.009
Unit cell angles	90.00, 109.76, 90.00

Refinement procedure

Resolution	10.000 - 1.950
Rwork	0.219
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mh5
RMSD bond length	0.010
RMSD bond angle	1.570
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.069	0.203
Number of reflections	26567
Completeness [%]	86.2	51.9
Redundancy	3.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	290	PEG 4000, Magnesium Chloride, TRIS-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
4	1	reservoir	PEG3350	20 (%)
5	1	reservoir	potassium thiocyanate	0.2 (M)	pH7.0