Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97948 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 37.603, 88.265, 106.493 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.980 - 2.400 |
| R-factor | 0.217 |
| Rwork | 0.216 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rjf |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.580 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.115 | 0.102 | 0.172 |
| Total number of observations | 42091 | ||
| Number of reflections | 6593 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 90.8 | 99.1 | 68.9 |
| Redundancy | 6.4 | 6.6 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 8% PEG 8000, 0.1 M Tris, Chymotrypsin, pH 8.5 |
