7O87
Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA) from Sphingomonas wittichii RW1 in complex with hydroxypyruvate
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 | 2019-05-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9763 |
Spacegroup name | H 3 |
Unit cell lengths | 70.814, 70.814, 221.899 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 53.731 - 1.500 |
Rwork | 0.184 |
R-free | 0.22540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6r62 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.582 |
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] | 73.970 | 73.970 | 1.530 |
High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
Rmerge | 0.111 | 0.068 | 0.957 |
Rmeas | 0.148 | 0.091 | 1.278 |
Rpim | 0.098 | 0.059 | 0.840 |
Number of reflections | 65270 | 403 | 3274 |
<I/σ(I)> | 6 | ||
Completeness [%] | 98.2 | 98.8 | 99.1 |
Redundancy | 3.3 | 3.6 | 3.3 |
CC(1/2) | 0.990 | 0.989 | 0.375 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | HEPES, Sodium Citrate |