5DXD

Crystal structure of Putative beta-glucanase (Rv0315 ortholog) from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	52.390, 52.390, 223.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.430 - 1.700
R-factor	0.1527
Rwork	0.149
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pq9
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2165)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.066	0.055	0.524
Rmeas	0.091	0.058	0.650
Total number of observations	278726
Number of reflections	65575	513	2574
<I/σ(I)>	15.88	36.81	2.04
Completeness [%]	99.6	98.7	97.8
Redundancy	4.25		2.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	Rigaku Reagents screen JCSG+ A2: 20% PEG 3350, 100mM Na3citrate/citric acid pH 5.5; MyabA.18623.a.B2.PS02117 at 17.1 mg/mg; cryo: 20% EG; tray 257193 a3; puck rdn7-6