2H5C

0.82A resolution crystal structure of alpha-lytic protease at pH 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-05
Detector	ADSC QUANTUM 210
Spacegroup name	P 32 2 1
Unit cell lengths	65.680, 65.680, 79.457
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.400 - 0.820
R-factor	0.081
R-free	0.09300
Structure solution method	REFINEMENT OF 1SSX.PDB
Starting model (for MR)	1ssx
RMSD bond length	0.025
RMSD bond angle	0.045
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.400	0.830
High resolution limit [Å]	0.820	0.820
Rmerge	0.046	0.375
Number of reflections	189525
<I/σ(I)>	38.7	3
Completeness [%]	97.9	84.5
Redundancy	7.42

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.25	298	1.3M LITHIUM SULFATE, 0.02M TRIS, PH 4.25, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K