6R2J
Crystal Structure of Pseudomonas stutzeri endoglucanase Cel5A in complex with cellobiose
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) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.250, 82.820, 104.680 |
| Unit cell angles | 90.00, 91.97, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.440 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lx4 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (V.1.14-3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 48.190 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.065 | 0.352 |
| Rmeas | 0.070 | 0.040 |
| Total number of observations | 1462858 | |
| Number of reflections | 216633 | 2482 |
| <I/σ(I)> | 19.06 | 5.11 |
| Completeness [%] | 99.1 | 96.4 |
| Redundancy | 6.753 | 5.97 |
| CC(1/2) | 0.998 | 0.998 |
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 100 mM tris pH 5.9 22.5 % PEG600 0.1 % cellobiose. The crystal was soaked 1 hour in 100 mM Tris pH 5.9 30% PEG600. |
