5ERX

Crystal Structure of APO MenD from M. tuberculosis - I222

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2012-11-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	I 2 2 2
Unit cell lengths	100.059, 105.502, 120.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.661 - 1.729
R-factor	0.2303
Rwork	0.229
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.671
Data scaling software	Aimless (0.1.27)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.661	19.660	1.760
High resolution limit [Å]	1.729	8.980	1.730
Rmerge	0.048	0.011	0.724
Rpim	0.023	0.006	0.385
Total number of observations	318157	2197	11298
Number of reflections	62875
<I/σ(I)>	22.6	110.9	2.2
Completeness [%]	94.7	90.1	77.7
Redundancy	5.1	4.6	4.1
CC(1/2)	1.000	1.000	0.348

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		277	Crystals grew in the fridge in the purification buffer.