5IE7
Crystal structure of a lactonase double mutant in complex with substrate b
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 86.408, 86.408, 470.449 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.500 |
R-factor | 0.22078 |
Rwork | 0.217 |
R-free | 0.28910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wzl |
RMSD bond length | 0.010 |
RMSD bond angle | 1.513 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.370 | 2.500 |
Rmerge | 0.065 | 0.031 | 0.357 |
Rmeas | 0.076 | ||
Rpim | 0.038 | ||
Total number of observations | 143528 | ||
Number of reflections | 37570 | ||
<I/σ(I)> | 9.3 | ||
Completeness [%] | 99.8 | 99.1 | 99.5 |
Redundancy | 3.8 | 3.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 24% PEG 2000 MME, 0.1M Bis-Tris |