1P31
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-07-31 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.523, 92.274, 118.174 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.850 |
| R-factor | 0.17135 |
| Rwork | 0.169 |
| R-free | 0.20800 * |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.110 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.064 | 0.450 |
| Total number of observations | 347154 * | |
| Number of reflections | 77944 | |
| <I/σ(I)> | 10.8 | 3 |
| Completeness [%] | 90.0 | 93 |
| Redundancy | 4.45 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.9 * | 4 * | PEG 4000, glycerol, magnesium chloride, Tris, pH 8.1, nanovolume, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | Tris | 25 (mM) | pH7.9 |
| 3 | 1 | drop | 150 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 5 (mM) | |
| 5 | 1 | drop | UNAM substrate | 5 (mM) | |
| 6 | 1 | reservoir | PEG4000 | 24 (%) | |
| 7 | 1 | reservoir | glycerol | 20 (%) | |
| 8 | 1 | reservoir | 160 (mM) | ||
| 9 | 1 | reservoir | Tris | 100 (mM) | pH8.1 |
