3MML
Allophanate Hydrolase Complex from Mycobacterium smegmatis, Msmeg0435-Msmeg0436
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921, 0.97935, 0.97549 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.483, 84.239, 402.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 2.500 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20200 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.095 | 0.488 |
| Number of reflections | 163304 | |
| <I/σ(I)> | 10 | 3 |
| Completeness [%] | 93.2 | 83.6 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.17 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 |
