5J5D

Crystal structure of Dihydrodipicolinate Synthase from Mycobacterium tuberculosis in complex with alpha-ketopimelic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-05-19
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 42 21 2
Unit cell lengths	84.780, 84.780, 83.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.781 - 2.400
R-factor	0.1981
Rwork	0.195
R-free	0.25120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xxx
RMSD bond length	0.004
RMSD bond angle	0.681
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX ((1.10_2142: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.000	55.000	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.106	0.032	0.420
Rmeas	0.114
Rpim	0.043
Total number of observations	83110
Number of reflections	12296
<I/σ(I)>	13.7
Completeness [%]	98.8	99.4	97.3
Redundancy	6.8	6.3	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	1.34M tri-sodium citrate, 0.1M Tris-HCl