5TEK

Apo Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-22
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	60.569, 122.607, 80.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.010
R-factor	0.1932
Rwork	0.192
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yl5
RMSD bond length	0.012
RMSD bond angle	1.558
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.030
High resolution limit [Å]	2.000	5.420	2.000
Rmerge	0.061	0.049	0.655
Number of reflections	40777
<I/σ(I)>	13
Completeness [%]	99.6	96.5	99.3
Redundancy	5.5	4.9	4.8
CC(1/2)		0.994	0.856

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M Magnesium Chloride, 0.1 M HEPES pH 7.5, 25% PEG3350