1QMN

Alpha1-antichymotrypsin serpin in the delta conformation (partial loop insertion)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1999-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	41.723, 122.094, 41.724
Unit cell angles	90.00, 101.03, 90.00

Refinement procedure

Resolution	40.950 - 2.270
R-factor	0.197
Rwork	0.197
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1as4
RMSD bond length	0.036
RMSD bond angle	23.500 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	2.390
High resolution limit [Å]	2.300	2.270
Rmerge	0.101	0.343
Total number of observations	18805 *
Number of reflections	11373
<I/σ(I)>	4.4	2.4
Completeness [%]	62.1	17.2
Redundancy	1.7	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	18 *	1 MICROLITER OF 10MG/ML PROTEIN IN 50MM TRIS, 50MM KCL, PH 7.4 WAS MIXED WITH 2 MICROLITER OF PRECIPITANT AND EQUILIBRATED AS A HANGING DROP OVER 1ML OF PRECIPITANT (20% [W/V] PEG 4000, 0.2M AMMONIUM SULPHATE, 0.1M NAOAC, PH 4.5), AT 18 DEGREES C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	50 (mM)
3	1	drop		50 (mM)
4	1	reservoir	PEG4000	20 (%(w/v))
5	1	reservoir	ammonium sulfate	0.2 (M)
6	1	reservoir		0.1 (M)