3FJ7
Crystal structure of L-phospholactate Bound PEB3
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 | 2008-03-19 |
Detector | MARRESEARCH |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.231, 79.239, 99.046 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.700 |
R-factor | 0.21997 |
Rwork | 0.219 |
R-free | 0.24246 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hwx PEB3 citrate bound form |
RMSD bond length | 0.003 |
RMSD bond angle | 0.821 |
Data reduction software | d*TREK |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.266 | |
Number of reflections | 54648 | |
<I/σ(I)> | 11.6 | 7.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 18% [w/v] polyethylene glycol 3350, 0.2 M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |