4BAJ

MYCOBACTERIUM TUBERCULOSIS CHORISMATE SYNTHASE after exposure to 266nm UV laser

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION GEMINI
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-19
Detector	AGILENT
Wavelength(s)	1.5418
Spacegroup name	P 64 2 2
Unit cell lengths	131.820, 131.820, 160.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.810 - 2.300
R-factor	0.191
Rwork	0.190
R-free	0.20910
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXDE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.450
Number of reflections	34953
<I/σ(I)>	14.9	2.56
Completeness [%]	94.1	71.7
Redundancy	4.2	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.5		4.8 M NH4-ACETATE, 0.1 M NA-ACETATE, PH 4.5, VAPOR DIFFUSION