7O9R
Crystal structure of holo-H44A mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | H 3 |
Unit cell lengths | 70.881, 70.881, 223.180 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 59.190 - 1.850 |
Rwork | 0.158 |
R-free | 0.19590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r62 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.443 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.190 | 59.190 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.153 | 0.059 | 1.537 |
Rmeas | 0.180 | 0.069 | 1.801 |
Rpim | 0.094 | 0.035 | 0.916 |
Number of reflections | 33572 | 272 | 2159 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 94.0 | ||
Redundancy | 3.8 | 4.6 | 3.7 |
CC(1/2) | 0.996 | 0.998 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | HEPES, Sodium Citrate |