4GPG

X/N joint refinement of Achromobacter Lyticus Protease I free form at pD8.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	NUCLEAR REACTOR
Source details	JRR-3M BEAMLINE 1G-C
Synchrotron site	JRR-3M
Beamline	1G-C
Temperature [K]	297
Detector technology	IMAGE PLATE
Collection date	2007-06-12
Wavelength(s)	2.6
Spacegroup name	P 1
Unit cell lengths	39.574, 40.785, 43.980
Unit cell angles	64.82, 66.10, 73.42

Refinement procedure

Resolution	37.610 - 1.979
R-factor	0.1984
Rwork	0.195
R-free	0.25950
RMSD bond length	0.011
RMSD bond angle	1.473
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.7.3_911))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.950
High resolution limit [Å]	1.980	4.310	1.880
Rmerge	0.161	0.124	0.198
Number of reflections	11000
<I/σ(I)>	4.87	10.7	5.95
Completeness [%]	89.4	98.1	89.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	297	20% w/v PEG 3350, 10mM Tris, HCl pH 8.0, 50% PEG 3350, HCl pD 8.0, VAPOR DIFFUSION, temperature 297K
1	VAPOR DIFFUSION	8	297	20% w/v PEG 3350, 10mM Tris, HCl pH 8.0, 50% PEG 3350, HCl pD 8.0, VAPOR DIFFUSION, temperature 297K