5D6N

Crystal structure of a mycobacterial protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-16
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	61.680, 78.174, 102.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.675 - 2.401
R-factor	0.1903
Rwork	0.184
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e53
RMSD bond length	0.002
RMSD bond angle	0.629
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.128	0.554
Number of reflections	19911
<I/σ(I)>	17.4
Completeness [%]	99.8	99.5
Redundancy	10.2	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289	0.1 M magnesium formate, 15% PEG 3350