3MAY

Crystal structure of a secreted Mycobacterium tuberculosis heme-binding protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Collection date	2002-06-15
Wavelength(s)	0.9792, 0.9795, 1.04
Spacegroup name	P 41
Unit cell lengths	72.671, 72.671, 173.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.680 - 2.500
R-factor	0.19776
Rwork	0.195
R-free	0.25570
Structure solution method	MAD
RMSD bond length	0.020
RMSD bond angle	1.979
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.500
Rmerge	0.075
Number of reflections	31089
<I/σ(I)>	31.8
Completeness [%]	99.8
Redundancy	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1