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 |