7BMR
HEWL in cesium chloride (0.25 M CsCl in protein buffer and 1.71 M CsCl in cryo protectant)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.7712 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.968, 78.968, 36.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.480 - 1.780 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.21200 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.040 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.480 | 39.480 | 1.820 |
| High resolution limit [Å] | 1.780 | 9.100 | 1.780 |
| Rmerge | 0.152 | 0.146 | 0.460 |
| Rmeas | 0.156 | 0.149 | 0.488 |
| Rpim | 0.033 | 0.033 | 0.155 |
| Total number of observations | 2102 | 4158 | |
| Number of reflections | 11475 | 119 | 508 |
| <I/σ(I)> | 18.1 | 25.3 | 4.5 |
| Completeness [%] | 98.9 | 99.5 | 80.4 |
| Redundancy | 19.4 | 17.7 | 8.2 |
| CC(1/2) | 0.996 | 0.994 | 0.882 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293.15 | 50 mM sodium acetate pH 4.5, 1.71 M sodium chloride |
