4LAK

Crystal structure of Cordyceps militaris IDCase D323N mutant 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	2012-12-28
Detector	RAYONIX MX225HE
Wavelength(s)	0.9792
Spacegroup name	P 41
Unit cell lengths	77.618, 77.618, 140.089
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.410
R-factor	0.1838
Rwork	0.181
R-free	0.23990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hk5
RMSD bond length	0.005
RMSD bond angle	0.975
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]	77.620	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.103	0.068	0.656
Number of reflections	31075
<I/σ(I)>	9.5
Completeness [%]	97.1	92.2	98.4
Redundancy	3.5	3.4	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop	8.5	289	25% polyethylene glycol 3350, 0.2 M MgCl2, 0.1 M Tris-HCl, pH 8.5, sitting drop, temperature 289K