4PE2
MBP PilA1 CD160
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-04-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 62.484, 70.468, 117.153 |
| Unit cell angles | 90.00, 90.24, 90.00 |
Refinement procedure
| Resolution | 36.595 - 1.724 |
| R-factor | 0.1978 |
| Rwork | 0.197 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS (0.1.26) |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.600 | 36.600 | 1.760 |
| High resolution limit [Å] | 1.720 | 8.960 | 1.720 |
| Rmerge | 0.125 | 0.072 | 1.564 |
| Rpim | 0.052 | 0.030 | 0.829 |
| Total number of observations | 334150 | 2522 | 6923 |
| Number of reflections | 51443 | ||
| <I/σ(I)> | 8.3 | 21.9 | 0.7 |
| Completeness [%] | 95.9 | 97 | 58.1 |
| Redundancy | 6.5 | 6.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.4 M sodium malonate |
