7ZJT

Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.953725
Spacegroup name	P 2 2 21
Unit cell lengths	76.810, 87.416, 106.182
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.380 - 1.960
R-factor	0.1849
Rwork	0.183
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vf2
RMSD bond length	0.010
RMSD bond angle	1.555
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.380	45.380	2.010
High resolution limit [Å]	1.960	8.980	1.960
Rmerge	0.148	0.031	1.165
Rmeas	0.156	0.033	1.228
Rpim	0.047	0.011	0.378
Number of reflections	51930	634	3434
<I/σ(I)>	13.8	44.1	2.1
Completeness [%]	99.6	99.3	94.4
Redundancy	10.5	9	9.9
CC(1/2)	0.998	0.999	0.653

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	MES Sodium 0.1 M NH4SO4 1.5 M PEG400 10%