4KL5
Crystal structure of NpuDnaE intein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.555, 66.700, 67.486 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.439 - 1.720 |
| R-factor | 0.1712 |
| Rwork | 0.169 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2keq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.251 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.820 |
| High resolution limit [Å] | 1.720 | 5.120 | 1.720 |
| Rmerge | 0.065 | 0.027 | 0.548 |
| Number of reflections | 28252 | ||
| <I/σ(I)> | 50.68 | 3.67 | |
| Completeness [%] | 99.2 | 95.2 | 96.3 |
| Redundancy | 7.04 | 6.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.4 M tri-ammonium citrate/citric acid , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
