6NBO

Crystal structure of N-isopropylammelide isopropylaminohydrolase from Burkholderia multivorans ATCC 17616

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	2016-06-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	88.260, 100.350, 142.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.899 - 1.950
R-factor	0.1582
Rwork	0.157
R-free	0.17830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cqb
RMSD bond length	0.006
RMSD bond angle	0.808
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (dev_3339)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.899	42.899	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.057	0.025	0.518
Rmeas	0.062	0.027	0.556
Total number of observations	341726
Number of reflections	46373	587	3396
<I/σ(I)>	21.42	47.21	3.81
Completeness [%]	100.0	98.2	100
Redundancy	7.369	6.254	7.507
CC(1/2)	0.999	0.999	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	BumuA.00109.b.B1.PS37886 at 23.1mg/ml, mixed 1:1 with JCSG+g12: 3M NacL, 0.1M Bis-Tris pH5.5, cryo protected with 20% EG. Crystal id 272543g12, nmv9-9.