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 |