1EZX

CRYSTAL STRUCTURE OF A SERPIN:PROTEASE COMPLEX

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	2000-04-14
Detector	ADSC QUANTUM 4
Spacegroup name	C 2 2 21
Unit cell lengths	63.234, 171.295, 145.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.600
Rwork	0.205
R-free	0.23880
RMSD bond length	0.006
RMSD bond angle	1.370
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.158	0.833
Total number of observations	190117 *
Number of reflections	24548
<I/σ(I)>	12
Completeness [%]	99.0	99
Redundancy	7.7	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7 *	4 *	PEG 3350, sodium citrate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Na acetate	20 (mM)
3	1	reservoir	Na citrate	0.2 (M)
4	1	reservoir	PEG3350	20 (%)