6NKQ
The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2018-02-12 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | .987 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 65.888, 114.121, 140.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.060 - 2.300 |
R-factor | 0.20974 |
Rwork | 0.207 |
R-free | 0.26097 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1beb |
RMSD bond length | 0.004 |
RMSD bond angle | 1.109 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.700 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.205 | 1.620 |
Rmeas | 0.209 | 1.660 |
Rpim | 0.031 | 0.240 |
Number of reflections | 49538 | 2094 |
<I/σ(I)> | 10.7 | 3.4 |
Completeness [%] | 94.0 | 45.3 |
Redundancy | 45.2 | 46.7 |
CC(1/2) | 0.999 | 0.976 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.8 | 293 | Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours |