5IE5
Crystal structure of a lactonase double mutant in complex with substrate a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
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 | 86.164, 86.164, 471.862 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.390 |
R-factor | 0.217 |
Rwork | 0.214 |
R-free | 0.26977 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3XZL |
RMSD bond length | 0.010 |
RMSD bond angle | 1.525 |
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 | 2.460 |
High resolution limit [Å] | 2.380 | 5.110 | 2.380 |
Rmerge | 0.059 | 0.037 | 0.280 |
Rmeas | 0.064 | ||
Rpim | 0.023 | ||
Total number of observations | 296475 | ||
Number of reflections | 42998 | ||
<I/σ(I)> | 11.3 | ||
Completeness [%] | 99.1 | 97.9 | 93.2 |
Redundancy | 6.9 | 6.3 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 24% PEG 2000 MME, 0.1M Bis-Tris |