6C0D

Crystal structure of an Amidase (hydantoinase/carbamoylase family) from Burkholderia phymatum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-20
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	136.620, 136.620, 67.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.719 - 1.800
R-factor	0.158
Rwork	0.157
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j4mA as per MorDa
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.13rc1_2961)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.719	44.719	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.063	0.031	0.545
Rmeas	0.067	0.032	0.620
Number of reflections	67274	824	4947
<I/σ(I)>	17.25	48.51	2.08
Completeness [%]	100.0	99	100
Redundancy	7.405	10.141	4.432
CC(1/2)	0.999	0.999	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	Microlytic MCSG-1 screen F11: 200mM Ammonium sulfate, 25% PEG 3350, 100mM HEPES free acid / NaOH pH 7.5: BuphA.12245.b.B1.PW38373 at 22.42mg/ml: cryo: 15% EG in 2 steps: tray 296390 f11: puck jzk7-6.