4K8M

High resolution structure of M.tb NRDH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-27
Detector	MARCCD 225X225
Wavelength(s)	0.71255
Spacegroup name	P 21 21 2
Unit cell lengths	51.595, 47.705, 26.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.850 - 0.870
Rwork	0.140
R-free	0.15530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f2i
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall
Low resolution limit [Å]	23.850
High resolution limit [Å]	0.870
Rmerge	0.064
Number of reflections	53538
<I/σ(I)>	16.4
Completeness [%]	99.8
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1