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 |