1XXU

Crystal Structure of AhpE from Mycrobacterium tuberculosis, a 1-Cys peroxiredoxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	113
Detector technology	CCD
Detector	ADSC QUANTUM 210
Wavelength(s)	0.91983
Spacegroup name	P 42
Unit cell lengths	148.199, 148.199, 33.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.050 - 1.900
Rwork	0.242
R-free	0.28600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xvw
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.050	1.970
High resolution limit [Å]	1.900	1.900
Number of reflections	59088
<I/σ(I)>	16.2	2.29
Completeness [%]	99.8
Redundancy		99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	1.8M sodium malonate pH 5.0 mixed with 0.1M sodium acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K