4I52

scMenB im complex with 1-hydroxy-2-naphthoyl-CoA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 32 2 1
Unit cell lengths	138.843, 138.843, 221.217
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.596 - 2.350
R-factor	0.23016
Rwork	0.229
R-free	0.25556
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eml
RMSD bond length	0.006
RMSD bond angle	1.297
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.596	46.596
High resolution limit [Å]	2.350	2.350
Number of reflections	102666
Completeness [%]	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.7	294	0.15M ammonium acetate, 0.3M ammonium sulfate, 16% PEG3350, 100mM Bis-Tris buffer, 0.1M Proline(or 0.1M Taurine), pH 5.70, VAPOR DIFFUSION, HANGING DROP, temperature 294K