6H5Y
PM1 mutant, 7D5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 202.610, 202.610, 202.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 82.715 - 2.300 |
| R-factor | 0.1695 |
| Rwork | 0.167 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gyc |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 143.270 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmeas | 0.227 | 0.900 |
| Number of reflections | 61143 | 2298 |
| <I/σ(I)> | 19.4 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20 | 15 |
| CC(1/2) | 0.990 | 0.935 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM NaAc, 200 mM Li2SO4, 20% (v/v) polyethylenglycol 4000 and 100 mM HEPES pH 7.5 |
