3VDG

Crystal structure of enolase MSMEG_6132 (TARGET EFI-502282) from Mycobacterium smegmatis str. MC2 155 complexed with formate and acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 61 2 2
Unit cell lengths	94.949, 94.949, 259.752
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.15949
Rwork	0.159
R-free	0.18588
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tw9
RMSD bond length	0.009
RMSD bond angle	1.226
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	1.850
High resolution limit [Å]	1.820	1.820
Rmerge	0.100
Number of reflections	62963
<I/σ(I)>	5.9	1
Completeness [%]	98.1	99.6
Redundancy	7	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		1.1M Malonic Acid, 0.15 M Ammonium Citrate Tribasic, 0.072 M Succinic Acid, 0.18 M DL-Malic Acid, 0.24 M Sodium Acetate, 0.3 M Sodium Formate, 0.096 M Ammonium Tartrate Dibasic, pH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K