3C4V
Structure of the retaining glycosyltransferase MshA:The first step in mycothiol biosynthesis. Organism: Corynebacterium glutamicum : Complex with UDP and 1L-INS-1-P.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-10-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9778 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 223.940, 223.940, 125.005 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.180 - 2.600 |
| R-factor | 0.19122 |
| Rwork | 0.190 |
| R-free | 0.21304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c4q |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.606 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.056 | 0.309 |
| Number of reflections | 48553 | |
| <I/σ(I)> | 23 | 4 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 298 | Protein (40 mg/ml, 400 mM Ammonium sulfate, 10% glycerol, 0.5 mM EDTA, 1 mM BME, 10 mM UDPNAG) Precipitant (0.8 M sodium citrate pH 5.5 ) , Vapor diffusion under oil, temperature 298K, VAPOR DIFFUSION |
