1P3D
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
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 | 2002-09-30 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.920, 87.328, 86.113 |
Unit cell angles | 90.00, 104.86, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.700 |
R-factor | 0.16953 |
Rwork | 0.168 |
R-free | 0.19400 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p31 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.130 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.046 | 0.540 * |
Total number of observations | 488589 * | |
Number of reflections | 113461 | |
<I/σ(I)> | 13.4 | 2.47 |
Completeness [%] | 96.6 | 90.5 |
Redundancy | 4.31 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7.5 | 20 * | PEG 4000, isopropanol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 14 (mg/ml) | |
2 | 1 | drop | UNAM | 5 (mM) | |
3 | 1 | drop | Ala | 5 (mM) | |
4 | 1 | drop | Mn2+ | 5 (mM) | |
5 | 1 | drop | AMP-PNP | 5 (mM) | |
6 | 1 | reservoir | PEG4000 | 20 (%) | |
7 | 1 | reservoir | isopropanol | 10 (%) | |
8 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |