4LW8
Crystal structure of a putative epimerase from Burkholderia cenocepacia J2315
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-02 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.970, 98.970, 173.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.628 - 2.100 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.20970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pk3 modified with CCP4 program chainsaw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.022 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (dev_1439) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.057 | 0.020 | 0.512 |
Number of reflections | 57752 | 731 | 4228 |
<I/σ(I)> | 21.2 | 54.24 | 3.53 |
Completeness [%] | 99.3 | 95.8 | 100 |
Redundancy | 5.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | EmeraldBio JCSG screen c4: 10% PEG 600, 100mM HEPES, pH 7.5, cryo protected with 15% EG. BuceA.00050.a.B1.PS01171 at 23.6 mg/ml, tray 246217, VAPOR DIFFUSION, SITTING DROP, temperature 290K |