4DLM

Crystal structure of an amidohydrolase (COG3618) from burkholderia multivorans (TARGET EFI-500235) with bound ZN, space group P212121

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	60.860, 63.200, 76.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.651 - 1.925
R-factor	0.1803
Rwork	0.177
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.070
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	76.220	48.651	2.030
High resolution limit [Å]	1.925	6.090	1.920
Rmerge		0.070	0.651
Total number of observations		2888	11907
Number of reflections	20778
<I/σ(I)>	7.4	6.8	1.2
Completeness [%]	91.6	85.9	93.7
Redundancy	4.1	4.3	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffuction	8	298	Protein (10 mM Hepes, pH 7.8, 150 mM NaCl, 10% glycerol, 0.5 mM ZnCl, 0.5 mM D-arabonate-1,4-lactone; Reservoir (20% Peg3350, 100 mM Tris pH 8.0); Cryoprotection (Reservoir, 5 mM Zn, 25 mM D-arabonate-1,4-lactone, 20% ethylene glycol), sitting drop vapor diffuction, temperature 298K