3PCQ
Femtosecond X-ray protein Nanocrystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE AMO |
| Synchrotron site | SLAC LCLS |
| Beamline | AMO |
| Temperature [K] | 288 |
| Detector technology | PNCCD |
| Collection date | 2009-12-13 |
| Detector | CFEL-ASG MULTIPURPOSE (CAMP) |
| Spacegroup name | P 63 |
| Unit cell lengths | 281.000, 281.000, 165.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.120 - 8.984 |
| R-factor | 0.25118 |
| Rwork | 0.252 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jb0 |
| Data reduction software | CrystFEL (0.1.0 / indexamajig (IN HOUSE)) |
| Data scaling software | Monte (Carlo Integration (IN HOUSE)) |
| Phasing software | REFMAC (5.6.0076) |
| Refinement software | REFMAC (5.6.0076) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 243.470 | 83.000 | 9.000 |
| High resolution limit [Å] | 8.660 | 22.050 | 8.660 |
| Number of reflections | 6111 | ||
| <I/σ(I)> | 11.11 | 14.2447 | 2.75 |
| Completeness [%] | 91.5 | 98 | 70.5 |
| Redundancy | 738 | 1480.2 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.4 | 277 | 0.008 M MAGNESIUM SULFATE, 0.005 M MES PH 6.4, 0.02% BETA-DODECYLMALTOSIDE, Batch nanocrystallization, temperature 277K | |
| 1 | 6.4 | 277 | 0.008 M MAGNESIUM SULFATE, 0.005 M MES PH 6.4, 0.02% BETA-DODECYLMALTOSIDE, Batch nanocrystallization, temperature 277K |
