4ILU

Crystal structure of Mycobacterium tuberculosis CarD

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	2012-05-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	93.500, 93.500, 86.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.814 - 2.300
R-factor	0.2085
Rwork	0.207
R-free	0.23270
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.695
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	93.500	43.255	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.034	0.529
Rmeas		0.036	0.555
Rpim		0.011	0.164
Total number of observations		6561	28523
Number of reflections	17652
<I/σ(I)>	18.7	40.8	4.8
Completeness [%]	100.0	99.6	100
Redundancy	11.4	10.1	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	1.5M Lithium sulphate, 0.1M HEPES pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K