4FN7

Apo Structure of the Mtb enoyol CoA isomerase (Rv0632c)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	64.132, 68.681, 75.570
Unit cell angles	90.00, 108.57, 90.00

Refinement procedure

Resolution	36.330 - 1.250
R-factor	0.15
Rwork	0.149
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.994
Data reduction software	d*TREK (9.9L)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.430	40.430	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.050	0.025	0.463
Number of reflections	165230
<I/σ(I)>	10	34.5	2
Completeness [%]	96.3	99.2	93.6
Redundancy	3.68	3.78	3.68

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	20% PEG3350, 0.1M MES 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K