1QMB

Cleaved alpha-1-antitrypsin polymer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-05-15
Detector	ADSC QUANTUM
Spacegroup name	P 31 2 1
Unit cell lengths	108.590, 108.590, 110.650
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.270 - 2.600
R-factor	0.212
Rwork	0.212
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ETRY 7API
RMSD bond length	0.005
RMSD bond angle	23.600 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS (0.9)
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.270	2.710
High resolution limit [Å]	2.570	2.570
Rmerge	0.209	1.000
Number of reflections	17423
<I/σ(I)>	13.73	0.3
Completeness [%]	71.5	12.5
Redundancy	3.9	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.5		0.2M TRI-SODIUM CITRATE, 0.1M TRIS, PH 8.5, 30% PEG 400

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG400	30 (%(w/v))
2	1	1		200 (mM)
3	1	1	Tris-HCl	100 (mM)