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 | 2009-02-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9395 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.540, 33.620, 75.220 |
Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
Resolution | 35.026 - 2.400 |
R-factor | 0.2042 |
Rwork | 0.198 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t36 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.327 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 72.288 | 44.100 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.033 | 0.498 | |
Total number of observations | 1450 | 6011 | |
Number of reflections | 13461 | ||
<I/σ(I)> | 8.5 | 15.8 | 1.4 |
Completeness [%] | 97.3 | 98.9 | 96.6 |
Redundancy | 3.1 | 3 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2 M succinic acid, pH 5.5, 15% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |