Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-27 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.218, 90.428, 70.554 |
Unit cell angles | 90.00, 111.02, 90.00 |
Refinement procedure
Resolution | 26.618 - 1.727 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.24230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m15 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.803 |
Data reduction software | Deice.py (& DENZO) |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.513 | 1.770 |
High resolution limit [Å] | 1.727 | 1.730 |
Number of reflections | 65700 | |
<I/σ(I)> | 11.69 | 2.11 |
Completeness [%] | 94.6 | 98.1 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20 mg/mL protein, 26% PEG5000 MME, 0.1M MES, 0.1M (NH4)2SO4. Small crystals were used for macroseeding identical conditions, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |