4HLB

Crystal structure of an alpha-lytic protease prodomain-like protein (DESPIG_01740) from Desulfovibrio piger ATCC 29098 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979095,0.979338,0.953725
Spacegroup name	P 32 2 1
Unit cell lengths	57.821, 57.821, 63.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.910 - 1.800
R-factor	0.1966
Rwork	0.195
R-free	0.22280
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.361
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.910	28.911	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge		0.014	0.014
Total number of observations		1903	6715
Number of reflections	11856
<I/σ(I)>	16.3	17.4	0.6
Completeness [%]	100.0	98.3	100
Redundancy	13.3	11.9	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.20M sodium acetate, 30.00% polyethylene glycol 4000, 0.1M tris hydrochloride pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K