4D8B

High resolution structure of monomeric S. progenies SpeB reveals role of glycine-rich active site loop

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 2
Unit cell lengths	114.994, 50.112, 41.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.679 - 1.058
R-factor	0.1451
Rwork	0.144
R-free	0.16010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.308
Data reduction software	MOSFLM
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.679	1.120	1.080
High resolution limit [Å]	1.058	1.100	1.058
Rmerge	0.070	0.458	0.592
Number of reflections	111095
<I/σ(I)>	33.6	3.3	2.1
Completeness [%]	96.4	94.5	83.6
Redundancy	2.2	4.2	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.15 M Sodium Nitrate, 15% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K