4F3P
Crystal structure of a Glutamine-binding periplasmic protein from Burkholderia pseudomallei in complex with glutamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9774 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.330, 74.500, 60.190 |
Unit cell angles | 90.00, 100.63, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1789 |
Rwork | 0.177 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ggg modified with CCP4 program chainsaw |
RMSD bond length | 0.014 |
RMSD bond angle | 1.588 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.086 | 0.020 | 0.524 |
Number of reflections | 19249 | 230 | 1394 |
<I/σ(I)> | 14.36 | 48.8 | 2.6 |
Completeness [%] | 99.9 | 98.3 | 99.6 |
Redundancy | 3.8 | 3.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | MD Morpheus screen C12: 12.5% PEG 3350, 12.5% PEG 1000, 12.5% MPD, 30mM sodium nitrate, 30mM disodium hydrgon phosphate, 30mM ammonium sulphate, 100mM bicine/trizma; BupsA.17285.b.A2 PW PS01148 20mg/ml, tray 232242c12, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |