5Y8X
Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.164, 60.016, 74.781 |
| Unit cell angles | 90.00, 100.42, 90.00 |
Refinement procedure
| Resolution | 42.120 - 1.970 |
| R-factor | 0.14587 |
| Rwork | 0.143 |
| R-free | 0.19401 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xlu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.524 |
| Data reduction software | HKL-2000 (9.9.8.9) |
| Data scaling software | HKL-2000 (9.9.8.9) |
| Phasing software | PHASER (9.9.8.9) |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.550 | 2.070 |
| High resolution limit [Å] | 1.970 | 2.000 |
| Number of reflections | 35250 | 3067 |
| <I/σ(I)> | 16.8 | 2.21 |
| Completeness [%] | 97.9 | 85.5 |
| Redundancy | 6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | PEG 4000, 100 mM NH4Cl, 100 mM TrisCl pH 8.0, 5mM azaserine |
