3MMZ
CRYSTAL STRUCTURE OF putative HAD family hydrolase from Streptomyces avermitilis MA-4680
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 100.387, 115.723, 115.192 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.750 - 1.840 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.20900 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.158 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 45.000 | 1.880 |
| High resolution limit [Å] | 1.840 | 5.020 | 1.850 |
| Rmerge | 0.096 | 0.047 | 0.696 |
| Number of reflections | 111339 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 6.3 | 6.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M Na-acetate, 30% PEG 400, 0.2 M Ca-acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
