1F8I
CRYSTAL STRUCTURE OF ISOCITRATE LYASE:NITROPROPIONATE:GLYOXYLATE COMPLEX FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-03 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.291, 129.018, 166.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.020 - 2.250 |
R-factor | 0.166 |
Rwork | 0.166 |
R-free | 0.21000 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.050 | 0.122 |
Total number of observations | 296878 * | |
Number of reflections | 72007 | |
<I/σ(I)> | 18.6 | |
Completeness [%] | 92.8 | 79.8 |
Redundancy | 4.12 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8 | 289 | PEG4000, sodium acetate, Tris.HCl, magnesium acetate, glyoxylate, 3-nitropropionate, pH 8.0, Microbatch under Paraffin oil, temperature 289.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 0.1 (M) | |
2 | 1 | reservoir | sodium acetate | 0.2 (M) | |
3 | 1 | reservoir | PEG4000 | 20-30 (%(w/v)) |