4LEM
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.953691 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 164.299, 164.299, 259.114 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.010 - 2.270 |
R-factor | 0.1509 |
Rwork | 0.148 |
R-free | 0.20442 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.838 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.010 | 2.390 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 186040 | |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 15.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 291 | 0.2% w/v biotin, 0.2% w/v phospho(enol)pyruvic acid monosodium salt hydrate, 0.2% w/v D-(+)-Melezitose hydrate, 0.2% w/v coenzyme B12 and 0.02M HEPES sodium pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 291K |