4KL6
Crystal structure of dimeric form of NpuDnaE intein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.720, 64.010, 64.220 |
| Unit cell angles | 109.02, 99.53, 95.52 |
Refinement procedure
| Resolution | 19.976 - 2.200 |
| R-factor | 0.2 |
| Rwork | 0.197 |
| R-free | 0.26560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2keq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.278 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.200 | 6.520 | 2.200 |
| Rmerge | 0.068 | 0.023 | 0.342 |
| Number of reflections | 27269 | ||
| <I/σ(I)> | 25.4 | 2.12 | |
| Completeness [%] | 92.0 | 94.5 | 90.6 |
| Redundancy | 1.7 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris, 2.0 M ammonium phosphate , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
