6MBH
GphF DH1 P1711L, L1744P variant: An isomerase-inactive variant of GphF DH1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.906, 53.346, 147.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.182 - 1.700 |
| R-factor | 0.1783 |
| Rwork | 0.176 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.030 | 49.030 | 1.730 |
| High resolution limit [Å] | 1.700 | 8.970 | 1.700 |
| Rmerge | 0.085 | 0.051 | 0.948 |
| Rmeas | 0.093 | 0.057 | 1.104 |
| Rpim | 0.037 | 0.024 | 0.552 |
| Total number of observations | 177534 | 1398 | 3709 |
| Number of reflections | 30049 | 266 | 1053 |
| <I/σ(I)> | 10.6 | 24.8 | 1.1 |
| Completeness [%] | 95.4 | 99.2 | 63.5 |
| Redundancy | 5.9 | 5.3 | 3.5 |
| CC(1/2) | 0.998 | 0.997 | 0.490 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 293.15 | 0.1 M trisodium citrate, 20% PEG 4000, 22% 1,4-butanediol, 0.1 M Hepes pH 7.3 |
