6L04
Crystal structure of uPA_H99Y in complex with 31F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | H 3 |
| Unit cell lengths | 119.950, 119.950, 42.310 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 59.970 - 2.210 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dva |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.540 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.970 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.065 | 0.489 |
| Number of reflections | 11131 | 1044 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 98.0 | |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 50mM sodium citrate at pH 4.6, 1.95M (NH4)2SO4, 0.03% NaN3, 5% PEG 400 |
