5HAI
P99 beta-lactamase mutant - S64G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9970 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 61.860, 69.430, 78.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.860 - 2.740 |
| R-factor | 0.2077 |
| Rwork | 0.206 |
| R-free | 0.24280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xx2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.617 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.900 | 2.840 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.060 | 0.250 |
| Number of reflections | 9252 | |
| <I/σ(I)> | 5.9 | 2.3 |
| Completeness [%] | 99.5 | 98.1 |
| Redundancy | 6.9 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 0.1M SPG buffer (succinic acid, sodium dihydrogen phosphate, and glycine) and 25% PEG 1500 |
