7BUM
mcGAS bound with pGpA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97892 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.337, 109.592, 75.870 |
| Unit cell angles | 90.00, 93.93, 90.00 |
Refinement procedure
| Resolution | 30.816 - 3.047 |
| R-factor | 0.2232 |
| Rwork | 0.217 |
| R-free | 0.28010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4k96 |
| Data reduction software | HKL-2000 (v715) |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.7.16) |
| Refinement software | PHENIX (1.14) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.100 |
| High resolution limit [Å] | 3.047 | 8.270 | 3.050 |
| Rmerge | 0.191 | 0.070 | 0.860 |
| Rmeas | 0.210 | 0.076 | 0.983 |
| Rpim | 0.085 | 0.030 | 0.465 |
| Number of reflections | 15010 | 780 | 718 |
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 99.4 | 99.1 | 98.5 |
| Redundancy | 5.8 | 6.5 | 4.1 |
| CC(1/2) | 0.996 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium sulfate, 0.1 M MES, 30 % w/v PEG-5000 MME, pH 6.5 |
