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 | 2007-03-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.074 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.856, 100.273, 80.465 |
| Unit cell angles | 90.00, 92.54, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.780 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kl5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.469 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.104 | 0.392 |
| Number of reflections | 94575 | |
| <I/σ(I)> | 13.6 | 4 |
| Completeness [%] | 98.5 | 98.3 |
| Redundancy | 8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | oil batch (TERA) | 4.75 | 298 | 20MM TRIS-HCL PH 8.0, 200MM NACL. 40% V/V 1,2-PROPANEDIOL, 0.1M ACETATE PH 4.5, 0.05M CA ACETATE, oil batch (TERA), temperature 298.0K |
