4H9Z
Structure of Geobacillus kaustophilus lactonase, mutant E101N with Mn2+
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 | 2011-03-17 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.311 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.226, 127.817, 51.515 |
| Unit cell angles | 90.00, 95.32, 90.00 |
Refinement procedure
| Resolution | 19.933 - 2.600 |
| R-factor | 0.1866 |
| Rwork | 0.183 |
| R-free | 0.24620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.162 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.230 | 2.300 |
| Rmerge | 0.112 | 0.111 | 0.316 |
| Number of reflections | 22514 | ||
| <I/σ(I)> | 16.9 | ||
| Completeness [%] | 76.1 | 99.4 | 12.6 |
| Redundancy | 3 | 3.5 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting-drop vapor diffusion | 7.5 | 293 | 100 mM Tris, pH 7.5, 20% (w/v) PEG 4000, 10% (v/v) glycerol, 0.1 mM MnCl2, sitting-drop vapor diffusion, temperature 293K |
