3TML
Crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Burkholderia cenocepacia
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.380, 149.010, 151.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.260 - 1.900 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t4c |
RMSD bond length | 0.012 |
RMSD bond angle | 1.462 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.260 | 1.950 | |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.079 | 0.030 | 0.564 |
Number of reflections | 85003 | 1076 | 6170 |
<I/σ(I)> | 11.54 | 30.8 | 2.4 |
Completeness [%] | 99.6 | 97.5 | 99.7 |
Redundancy | 4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | EBS internal tracking number 224146E2. JCSG E2. 2000 mM Ammonium sulfate, cacodylate 6.5, 200 mM NaCl. BuceA.00102.a.A1 PS01142 at 74 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 290K |