4HJW

Crystal structure of Metarhizium anisopliae IDCase in apo form

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	2012-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 31 1 2
Unit cell lengths	132.984, 132.984, 175.367
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	115.168 - 2.600
R-factor	0.177
Rwork	0.175
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.091
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	115.168	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.106	0.058	0.623
Number of reflections	53820
<I/σ(I)>	9.5
Completeness [%]	98.3	95.6	99.3
Redundancy	4.9	5	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	60% v/v tacsimate, 0.1 M Bis-Tris propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K