Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 77 |
Detector technology | IMAGE PLATE |
Collection date | 2011-08-21 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 178.190, 114.066, 97.239 |
Unit cell angles | 90.00, 116.85, 90.00 |
Refinement procedure
Resolution | 35.830 - 2.650 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.754 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1156) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.810 |
High resolution limit [Å] | 2.640 | 2.640 |
Rmerge | 0.060 | 0.890 |
Number of reflections | 50632 | |
<I/σ(I)> | 21.98 | 2.02 |
Completeness [%] | 99.0 | 99 |
Redundancy | 6.4 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.2 | 298 | 1.0 MM CAPILLARY,5 L OF 10.4 MG/ML ENZYME AND 200 L OF 100 MM MES PH 6.2, 100 MM MGCL2, AND 16% PEG 3350 |