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3MML

Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyCCD
Collection date2008-10-29
DetectorADSC QUANTUM 315
Wavelength(s)0.97921, 0.97935, 0.97549
Spacegroup nameP 21 21 21
Unit cell lengths77.483, 84.239, 402.075
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.920 - 2.500
R-factor0.17
Rwork0.169
R-free0.20200
Structure solution methodMAD
RMSD bond length0.010
RMSD bond angle1.150
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMLPHARE
Refinement softwareTNT
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.0002.590
High resolution limit [Å]2.5002.500
Rmerge0.0950.488
Number of reflections163304
<I/σ(I)>103
Completeness [%]93.283.6
Redundancy43.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62770.17 M ammonium sulfate, 0.085 M tri-sodium citrate pH 5.6, 25.5% (w/v) PEG4000, 15% (v/v) glycerol, vapor diffusion, hanging drop, temperature 277K

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