5I4M

Crystal structure of Amidase, hydantoinase/carbamoylase family from Burkholderia vietnamiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-10
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	47.460, 124.230, 77.040
Unit cell angles	90.00, 101.94, 90.00

Refinement procedure

Resolution	47.935 - 1.800
R-factor	0.1393
Rwork	0.139
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wjb
RMSD bond length	0.005
RMSD bond angle	0.812
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2313)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.935	50.000	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.092	0.029	0.516
Number of reflections	80654
<I/σ(I)>	12.33	34.63	2.59
Completeness [%]	99.9	98.7	99.9
Redundancy	3.8
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	MCSG1 screen B10: 24% PEG 4000, 20% glycerol, 160mM MgCl2, 100mM Tris/HCl pH 8.5; BuviA.12245.b.B2.PS02523 at 18.3 mg/ml, + 3mM Alanine; cryo: direct; tray 267436b10, puck LWQ9-7