3CQJ
Crystal Structure of L-xylulose-5-phosphate 3-epimerase UlaE (form B) complex with Zn2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-14 |
Wavelength(s) | 1.282 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.208, 132.596, 81.798 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.040 |
R-factor | 0.184 |
Rwork | 0.183 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cqh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.158 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.040 | 4.420 | 2.050 |
Rmerge | 0.072 | 0.038 | 0.387 |
Number of reflections | 67609 | ||
<I/σ(I)> | 12.7 | ||
Completeness [%] | 97.6 | 99.9 | 81.7 |
Redundancy | 6.7 | 7.8 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | PEG 4000, NaCl, pH 7.0, vapor diffusion, hanging drop, temperature 294K |