4Q2B

The crystal structure of an endo-1,4-D-glucanase from Pseudomonas putida KT2440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97938
Spacegroup name	P 21 21 21
Unit cell lengths	126.938, 129.189, 165.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.780 - 2.120
R-factor	0.1648
Rwork	0.163
R-free	0.19810
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.053
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	SHELXD
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	2.160
High resolution limit [Å]	2.120	2.120
Rmerge	0.081	0.685
Number of reflections	153814
<I/σ(I)>	29.9	2.64
Completeness [%]	99.9	100
Redundancy	6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.09M malonic acid, 0.0125M ammonium citratic tribasic, 0.006M succinic acid, 0.015M DL-malic acid, 0.01M sodium acetate, 0.025M sodium formate, 0.008M ammonium tartrate, 0.1M HEPES:NaOH, 10% (w/v) PEG MME 5000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K