6Q10

Crystal structure of the soluble domain (residues 71-217) of a conserved hypothetical secreted protein (Rv2700 ortholog) from Mycobacterium marinum

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	2019-04-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	42.310, 46.570, 69.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.600
R-factor	0.1731
Rwork	0.170
R-free	0.20330
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.027
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3500)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.700	38.700	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.029	0.022	0.348
Rmeas	0.031	0.024	0.395
Total number of observations	124550
Number of reflections	18638	251	1247
<I/σ(I)>	31.67	59.93	3.45
Completeness [%]	99.1	95.4	91.8
Redundancy	6.683	5.104	4.344
CC(1/2)	1.000	0.999	0.901

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	Hampton Research Index screen, condition H1 (305884h1): 100mM Citric acid pH 3.5, 2000mM Ammonium sulfate: MymaA.19257.a.B3.PS38530 at 22.5mg/ml cryo: 25% EG: tray 305841 H1: puck bqx9-4. For experimental phasing, a crystal from the same condition, Index H1 (305884h1), was soaked for 15 seconds each in a mix of 87.5% reservoir / 12.5% 2.5M sodium iodide in ethylene glycol, followed by a soak in 75% reservoir / 25% 2.5M sodium iodide in ethylene glycol, vitrified in liquid nitrogen for in-house data collection at Cu-Kalpha wavelength: puck vgz4-3
1	VAPOR DIFFUSION, SITTING DROP		290	Hampton Research Index screen, condition H1 (305884h1): 100mM Citric acid pH 3.5, 2000mM Ammonium sulfate: MymaA.19257.a.B3.PS38530 at 22.5mg/ml cryo: 25% EG: tray 305841 H1: puck bqx9-4. For experimental phasing, a crystal from the same condition, Index H1 (305884h1), was soaked for 15 seconds each in a mix of 87.5% reservoir / 12.5% 2.5M sodium iodide in ethylene glycol, followed by a soak in 75% reservoir / 25% 2.5M sodium iodide in ethylene glycol, vitrified in liquid nitrogen for in-house data collection at Cu-Kalpha wavelength: puck vgz4-3