4IDM
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979231, 0.953698, 0.979083 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 162.945, 162.945, 96.227 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.780 - 2.500 |
R-factor | 0.14737 |
Rwork | 0.144 |
R-free | 0.20702 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHELXS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.780 | 39.780 | 2.630 |
High resolution limit [Å] | 2.500 | 7.900 | 2.500 |
Rmerge | 0.226 | 0.091 | 0.774 |
Number of reflections | 26403 | ||
Completeness [%] | 99.7 | 99.1 | 98.1 |
Redundancy | 99.1 | 63.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 291 | 0.1 M Bicine/Tris pH 8.1, 12% polyethylene glycol (PEG) 1000, 12% PEG 3350, 12% 2-methyl-2,4-pentandiol (MPD), 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate and 0.03 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |