Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-28 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | H 3 |
Unit cell lengths | 89.333, 89.333, 287.851 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 95.780 - 1.500 |
R-factor | 0.14623 |
Rwork | 0.145 |
R-free | 0.17650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oe1 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.003 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.270 |
Number of reflections | 133132 | |
<I/σ(I)> | 18.9 | 2.95 |
Completeness [%] | 97.1 | 78.2 |
Redundancy | 3.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | PEG 550 MME, ZNSO4, MES PH 6.5 |