3UNX
Bond length analysis of asp, glu and his residues in subtilisin Carlsberg at 1.26A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.099, 55.159, 75.453 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 13.790 - 1.260 |
| R-factor | 0.1192 |
| Rwork | 0.118 |
| R-free | 0.13920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c3l |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.495 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MLPHARE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.790 | 1.330 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.091 | 0.570 |
| Number of reflections | 59740 | |
| <I/σ(I)> | 5.5 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 7.5 | 298 | 13% w/v sodium sulfate, pH 7.5, BATCH, temperature 298K |
