6UBE
Azide-triggered subtilisin SUBT_BACAM complexed with the peptide LFRAL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-07-01 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.646, 58.646, 125.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.730 - 1.600 |
| R-factor | 0.1294 |
| Rwork | 0.128 |
| R-free | 0.15800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f49 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.341 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.8.6 W9RSSI) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.730 | 19.720 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.440 | 1.600 |
| Rmerge | 0.037 | 0.021 | 0.133 |
| Rmeas | 0.041 | 0.023 | 0.158 |
| Total number of observations | 19542 | 8478 | |
| Number of reflections | 29454 | 3172 | 2652 |
| <I/σ(I)> | 25.2 | 61.2 | 7.6 |
| Completeness [%] | 98.9 | 99 | 91.3 |
| Redundancy | 5.81 | 6.12 | 3.18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Imidazole pH 8.0, 0.2 M NaCl, 30% PEG 8K |
