3QR3
Crystal Structure of Cel5A (EG2) from Hypocrea jecorina (Trichoderma reesei)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 293.15 |
Detector technology | PIXEL |
Collection date | 2011-01-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.953, 84.593, 90.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.767 - 2.050 |
R-factor | 0.1652 |
Rwork | 0.163 |
R-free | 0.20480 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.987 |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.770 | 39.767 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.040 | 0.268 | |
Number of reflections | 40013 | ||
<I/σ(I)> | 19.2 | 11.8 | 2.8 |
Completeness [%] | 98.8 | 99.6 | 92.4 |
Redundancy | 12.5 | 12.1 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.1 M Sodium citrate, 1 M Magnesium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |