4HA0
Structure of Geobacillus kaustophilus lactonase, mutant R230D with Zn2+
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 2 21 21 |
Unit cell lengths | 69.974, 76.218, 134.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.977 - 1.902 |
R-factor | 0.2611 |
Rwork | 0.259 |
R-free | 0.30320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.194 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
Rmerge | 0.104 | 0.076 | 0.406 |
Number of reflections | 56082 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 97.7 | 97.6 | 99.3 |
Redundancy | 5.9 | 5.5 | 5.9 |
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 ZnCl2, sitting-drop vapor diffusion, temperature 293K |