5I8I

Crystal Structure of the K. lactis Urea Amidolyase

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	2015-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	105.740, 181.940, 549.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.980 - 6.500
R-factor	0.2789
Rwork	0.278
R-free	0.30220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3va7 4iss
RMSD bond length	0.009
RMSD bond angle	1.638
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	274.910	29.980	6.850
High resolution limit [Å]	6.500	20.550	6.500
Rmerge		0.059	0.581
Rmeas	0.137	0.070	0.671
Rpim	0.066	0.037	0.324
Total number of observations	80051	1914	11920
Number of reflections	20690
<I/σ(I)>	8.3	19.5	2.2
Completeness [%]	95.6	67.3	97.1
Redundancy	3.9	3.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	0.1M Tris/HCl (pH 7.5), 0.2M ammonium sulfate, 12% PEG 8000, 2% PEG 3350