1PSI

Intact recombined alpha1-antitrypsin mutant PHE 51 to LEU

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-02-12
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	112.958, 38.508, 88.928
Unit cell angles	90.00, 104.85, 90.00

Refinement procedure

Resolution	6.000 - 2.900 *
R-factor	0.218
Rwork	0.218
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CLEAVED ALPHA1-ANTITRYPSIN (PDB ENTRY 9API)
RMSD bond length	0.006 *
RMSD bond angle	1.270 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000 *	3.110
High resolution limit [Å]	2.900 *	2.900 *
Rmerge	0.114	0.204
Number of reflections	7651
<I/σ(I)>	8.36	4
Completeness [%]	91.7	74.4
Redundancy	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	18 *	24% PEG, 0.2 M SODIUM ACETATE, 0.1 M TRIS.HCL, PH 6.0, 0.002 M FESO4, 25 DEG CELSIUS

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	24 (%(w/v))
2	1	reservoir		0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)	pH6.0
4	1	reservoir		2 (mM)