4LX4
Crystal Structure Determination of Pseudomonas stutzeri endoglucanase Cel5A using a Twinned Data Set
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979639 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.390, 82.900, 104.740 |
Unit cell angles | 90.00, 92.08, 90.00 |
Refinement procedure
Resolution | 48.279 - 1.556 |
R-factor | 0.2236 |
Rwork | 0.220 |
R-free | 0.23710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ee9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.177 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER ((phenix.automr: 1.8.2_1309)) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.279 | 1.600 |
High resolution limit [Å] | 1.556 | 1.560 |
Rmerge | 0.076 | 0.339 |
Number of reflections | 157658 | |
<I/σ(I)> | 17.9 | 5.9 |
Completeness [%] | 91.6 | 97.7 |
Redundancy | 7.1 | 7.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | Ps_Cel5A (27 microM) in 50 mM sodium phosphate pH 7.0, was mixed 1:1 with well buffer (100 mM tris pH 5.9 with 22.5 % v/v polyethylene glycol 600) using the hanging drop method with 500 uL well buffer in the well of the crystallization tray. Crystals obtained by this method were soaked 1 hour in 100 mM Tris pH 5.9 with 30% v/v polyethylene glycol 600., VAPOR DIFFUSION, HANGING DROP, temperature 292K |