3VCZ
1.80 Angstrom resolution crystal structure of a putative translation initiation inhibitor from Vibrio vulnificus CMCP6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.99984 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.877, 86.580, 68.162 |
| Unit cell angles | 90.00, 90.67, 90.00 |
Refinement procedure
| Resolution | 29.130 - 1.800 |
| R-factor | 0.1566 |
| Rwork | 0.155 |
| R-free | 0.18286 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qu9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.487 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 | 0.390 |
| Number of reflections | 38405 | |
| <I/σ(I)> | 20.78 | 2.64 |
| Completeness [%] | 99.6 | 94 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 295 | Protein: 7.5 mg/mL in 10 mM Tris-HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization: The JCSG+ Suite (condition D11: 0.14 M CaCl2, 0.07 M Na acetate pH 4.6, 14 % (v/v) isopropanol, 30 % (v/v) glycerol) , VAPOR DIFFUSION, SITTING DROP, temperature 295K |
