2BLO
Elastase before a high dose x-ray "burn"
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.767, 57.620, 74.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.330 |
| R-factor | 0.115 |
| Rwork | 0.114 |
| R-free | 0.14000 |
| Structure solution method | OTHER |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.810 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.050 | 0.180 |
| Number of reflections | 208781 | |
| <I/σ(I)> | 13.09 | 5.02 |
| Completeness [%] | 93.9 | 90.6 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | .250 M AMMONIUM SULFATE, .1 M PH 5.0 SODIUM ACETATE |
