5X7Z

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887 COMPLEX WITH P-AMINOSALICYLIC ACID

Replaces:  5HSL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	86.810, 86.870, 43.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.454 - 2.200
R-factor	0.2095
Rwork	0.205
R-free	0.24830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hsm
RMSD bond length	0.011
RMSD bond angle	0.995
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]	27.454	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.117	0.821
Rpim	0.050	0.331
Number of reflections	8664	1245
<I/σ(I)>	11	3.2
Completeness [%]	99.7	100
Redundancy	3.5	3.5
CC(1/2)	0.999	0.910

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