3MBB

Crystal structure of StSPL - apo form, after treatment with semicarbazide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2008-06-25
Detector	PSI PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	57.650, 126.990, 136.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 2.051
R-factor	0.1816
Rwork	0.181
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Non-deposited but refined structure of dimeric StSPL K311A
RMSD bond length	0.007
RMSD bond angle	1.088
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.200
High resolution limit [Å]	2.050	2.050
Number of reflections	63157
<I/σ(I)>	16.4	4.5
Completeness [%]	98.9	95
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	293	PEG 5000 MME 17%, 0.15 M KSCN, 0.1 M Tris(HOAc) pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K