Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-21 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.82656 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 47.953, 47.953, 82.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.023 - 1.038 |
R-factor | 0.118 |
Rwork | 0.117 |
R-free | 0.12860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hjm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.384 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.080 |
High resolution limit [Å] | 1.038 | 1.038 |
Rmerge | 0.058 | 0.512 |
Number of reflections | 53655 | |
<I/σ(I)> | 52.6 | 5.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.6 | 21.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12.5% w/v PEG1000, 12.5% w/v PEG3350, 12.5% v/v MPD, 0.02 M amino acids, 0.1 M MOPS/HEPES sodium, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |