3WAZ
Crystal structure of a restriction enzyme PabI in complex with DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2012-06-20 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 104.508, 151.402, 187.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.942 - 3.000 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dvy |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.674 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 117.843 | 19.942 | 3.160 |
| High resolution limit [Å] | 3.000 | 9.490 | 3.000 |
| Rmerge | 0.030 | 0.623 | |
| Rmeas | 0.033 | 0.670 | |
| Rpim | 0.013 | 0.243 | |
| Total number of observations | 5734 | 32737 | |
| Number of reflections | 30063 | ||
| <I/σ(I)> | 17.6 | 46 | 3.4 |
| Completeness [%] | 99.6 | 89.1 | 100 |
| Redundancy | 7.3 | 6.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.1M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
