Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-30 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 33.300, 102.540, 67.580 |
Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
Resolution | 32.020 - 1.950 |
R-factor | 0.20024 |
Rwork | 0.198 |
R-free | 0.24235 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1umw |
RMSD bond length | 0.009 |
RMSD bond angle | 1.183 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.180 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.088 | 0.360 |
Number of reflections | 28160 | |
<I/σ(I)> | 7.9 | 3.1 |
Completeness [%] | 86.2 | 85.3 |
Redundancy | 2.7 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 1.4M Sodium Potassium Tartrate, 50mM MES (pH 6.5), 100mM Hepes pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |