5X80

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH SALICYLIC ACID

Replaces:  5HSN

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	2012-09-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	57.970, 44.150, 122.160
Unit cell angles	90.00, 90.42, 90.00

Refinement procedure

Resolution	57.968 - 2.400
R-factor	0.2336
Rwork	0.231
R-free	0.25890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x7z
RMSD bond length	0.007
RMSD bond angle	1.257
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.970	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.061	0.207
Rpim	0.037	0.124
Number of reflections	21945	2932
<I/σ(I)>	11.5	5
Completeness [%]	89.8	82.8
Redundancy	3.7	3.7
CC(1/2)	0.998	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	289	0.1M CITRIC ACID, PH 3.5, 2.0M AMMONIUM SULFATE