3URA
Crystal Structure of PTE mutant H254G/H257W/L303T/K185R/I274N/A80V/S61T
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97945 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 85.207, 85.521, 88.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.880 |
Rwork | 0.232 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hzy |
RMSD bond length | 0.016 |
RMSD bond angle | 1.650 |
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 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Number of reflections | 52153 | |
<I/σ(I)> | 23.4 | 10.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 14.7 | 14.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2 uL 10.1 mg/mL protein + 2 uL seeding solution (24% PEG5000 MME, 4% dioxane, 1.0 mM cobalt chloride, 0.1 M imidazole, pH 7.0) over 500 uL precipitating agent (18% PEG5000 MME), VAPOR DIFFUSION, HANGING DROP, temperature 295K |