4HK7

Crystal structure of Cordyceps militaris IDCase in complex with uracil

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	2012-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0600
Spacegroup name	P 1 21 1
Unit cell lengths	77.333, 144.921, 77.310
Unit cell angles	90.00, 97.14, 90.00

Refinement procedure

Resolution	76.730 - 2.189
R-factor	0.1557
Rwork	0.153
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hk5
RMSD bond length	0.006
RMSD bond angle	1.103
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]	76.733	50.000	2.280
High resolution limit [Å]	2.189	4.740	2.189
Rmerge	0.085	0.041	0.481
Number of reflections	86105
<I/σ(I)>	10
Completeness [%]	99.5	99.6	96.5
Redundancy	3.4	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	25% PEG3350, 0.2 M magnesium chloride, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K