5ZRN

Inhibitor bound crystal structure of N-terminal domain of FACL13 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	129.647, 129.647, 185.965
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.370
Rwork	0.198
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t5b
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.450
High resolution limit [Å]	2.370	5.090	2.370
Rmerge	0.143	0.047	0.672
Number of reflections	32482		3188
<I/σ(I)>	6.3
Completeness [%]	100.0	100	99.9
Redundancy	7.4	7.2	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	25% Polyethylene glycol 3350, 0.1M Na-HEPES (pH 7.5), 0.1M Phenol