4XIN

X-ray Crystal Structure of an LpqH orthologue from Mycobacterium avium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-21
Detector	RAYONIX MX-225
Wavelength(s)	0.97624
Spacegroup name	P 1
Unit cell lengths	32.030, 37.630, 41.960
Unit cell angles	110.12, 95.97, 97.08

Refinement procedure

Resolution	31.391 - 1.500
R-factor	0.1617
Rwork	0.160
R-free	0.19460
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.246
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.710	1.540
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.037	0.028	0.201
Rmeas	0.046	0.034	0.247
Total number of observations	79785
Number of reflections	27430	564	2000
<I/σ(I)>	17.22	30.55	5.69
Completeness [%]	94.8	95.4	93.9
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	JCSG+ well H9 - 0.2 M Lithium sulfate, 25% PEG3350, 0.1 M BIS-TRIS pH 5.50; MyavA.18632.a.B2 PS02022 at 25.7mg/ml
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	JCSG+ well H9 - 0.2 M Lithium sulfate, 25% PEG3350, 0.1 M BIS-TRIS pH 5.50; MyavA.18632.a.B2 PS02022 at 25.7mg/ml