3VZ3
Structural insights into substrate and cofactor selection by sp2771
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 | 2012-06-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.957, 117.181, 181.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.410 - 1.690 |
| R-factor | 0.16751 |
| Rwork | 0.166 |
| R-free | 0.20342 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3jz4 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.257 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.700 |
| Number of reflections | 89961 | |
| Completeness [%] | 92.1 | 75.9 |
| Redundancy | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | PEG 5000 MME, tascimate, HEPES, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
