4GI3
Crystal structure of Greglin in complex with subtilisin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.070, 39.708, 59.750 |
| Unit cell angles | 90.00, 98.05, 90.00 |
Refinement procedure
| Resolution | 32.570 - 1.750 |
| R-factor | 0.1679 |
| Rwork | 0.166 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yu6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.570 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 31070 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.68M sodium citrate, 0.36M sodium formate, 0.066M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
