6V77

Crystal structure of a putative HpcE protein from Mycobacterium smegmatis

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	2019-11-25
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	68.250, 68.250, 218.980
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.930 - 1.750
R-factor	0.1611
Rwork	0.160
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 1I7O & 3LRK
RMSD bond length	0.008
RMSD bond angle	0.907
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.930	45.930	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.053	0.037	0.492
Rmeas	0.057	0.041	0.530
Total number of observations	442650
Number of reflections	60836	792	4428
<I/σ(I)>	20.89	43.84	3.96
Completeness [%]	100.0	97.5	100
Redundancy	7.276	5.973	7.36
CC(1/2)	0.999	0.998	0.931

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	22 mg/mL MysmA.00471.a.AE1.PW38681 against Microlytic/Anatrace MCSG-1 screen condition H7 (2000 mM ammonium sulfate, 100 mM Bis-Tris/HCl, pH 5.5), cryoprotectant: 25% ethylene glycol in 2 steps, tray 311974h7, puck uac1-9