Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 130.800, 260.300, 281.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.240 - 4.200 |
| R-factor | 0.236 |
| Rwork | 0.235 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ACQ |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | BUSTER (2.10.3) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.240 | 4.450 |
| High resolution limit [Å] | 4.200 | 4.200 |
| Rmerge | 0.095 | 1.620 |
| Rmeas | 0.107 | 1.865 |
| Number of reflections | 70358 | 10760 |
| <I/σ(I)> | 10 | 1 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 4.8 | |
| CC(1/2) | 0.998 | 0.446 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Equivolumetric drops consisting of 0.2M tribasic ammonium citrate, pH6.4, 15% (w/v) polyethylene glycol 3350, plus 0.05M sodium fluoride as an additive, and protein solution at 4.9 absorption units at lambda=280nm yielded a single large well-shaped monocrystal after several months. This crystal could not be reproduced despite extensive trials. |
