1XFC

The 1.9 A crystal structure of alanine racemase from Mycobacterium tuberculosis contains a conserved entryway into the active site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	93
Detector technology	CCD
Collection date	2002-06-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.916
Spacegroup name	P 41 21 2
Unit cell lengths	164.780, 164.780, 57.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.214
Rwork	0.204
R-free	0.25400
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.060	0.672
Number of reflections	67592
<I/σ(I)>	34.5	2.6
Completeness [%]	91.2	95.6
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.2	277	Sodium carbonate/bicarbonate, CaCl2, PEG400, HEPES, pH 9.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	9.2	277	Sodium carbonate/bicarbonate, CaCl2, PEG400, HEPES, pH 9.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K