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 | 2007-01-27 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 65.006, 65.006, 239.194 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.470 - 1.500 |
R-factor | 0.15746 |
Rwork | 0.156 |
R-free | 0.19085 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1j9l |
RMSD bond length | 0.016 |
RMSD bond angle | 1.591 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.500 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.080 | 0.190 |
Number of reflections | 91484 | |
<I/σ(I)> | 22 | 3 |
Completeness [%] | 95.9 | 68.2 |
Redundancy | 8.7 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.5 | 2.5 M NACL, 0.1 M ACETATE PH 4.5, 0.2 M LI SULFATE, OIL (TERA), MICROBATCH UNDER OIL |