Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.477, 38.124, 80.658 |
Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
Resolution | 16.000 - 1.600 |
R-factor | 0.219 |
Rwork | 0.218 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fjt |
RMSD bond length | 0.018 |
RMSD bond angle | 1.804 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.060 | 0.046 | 0.431 |
Number of reflections | 49467 | ||
<I/σ(I)> | 14.1 | ||
Completeness [%] | 95.5 | 97.8 | 62.9 |
Redundancy | 6.4 | 6.8 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 45 MG/ML PTN, 7% PEG 5K MME, 0.1M AMS, 0.1M MES, PH 5.6, MACROSEEDING TO GROW BIG SINGLES, VAPOR DIFFUSION, HANGING DROP, temperature 298K |