6NVT
Crystal structure of TLA-1 extended spectrum Beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-03-30 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979131 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 99.060, 99.010, 99.700 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 35.148 - 2.200 |
| R-factor | 0.1826 |
| Rwork | 0.181 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e25 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 1.811 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmeas | 0.077 | 0.647 |
| Number of reflections | 97662 | 12124 |
| <I/σ(I)> | 4.08 | 4.08 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.01 | |
| CC(1/2) | 0.999 | 0.839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 291.15 | 2.4 M Ammonium sulfate, 100 mMSodium Phosphate dibasic/Citric acid |
