3UPM
Crystal Structure of PTE mutant H254Q/H257F/K185R/I274N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.563, 85.387, 88.265 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| Rwork | 0.201 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hzy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.612 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 47545 | |
| <I/σ(I)> | 22.8 | 6.8 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 9.8 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 2 uL 11.2 mg/mL protein + 2 uL well solution (0.1 M MES, pH 6.0, 18% PEG5000 MME) over 500 uL well solution, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
