7UHI
Time-Resolved Structure of Metallo Beta-Lactamase L1 in a Complex with Non-Hydrolyzed Moxalactam (40 ms Snapshot)
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 295 |
Detector technology | CCD |
Collection date | 2020-02-12 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 1.02-1.15 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 105.853, 105.853, 99.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.030 - 2.200 |
R-factor | 0.2322 |
Rwork | 0.231 |
R-free | 0.26610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7l91 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.519 |
Data reduction software | Precognition |
Data scaling software | Epinorm |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.030 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.136 | 0.122 |
Number of reflections | 12800 | 671 |
<I/σ(I)> | 20 | |
Completeness [%] | 74.9 | |
Redundancy | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 289 | Batch crystallization done in polypropylene tubes. 200 ul of the L1 (48 mg/ml) in a buffer 0.015 Tris, 0.1 M KCl, 1.5 mM TCEP, 5 mM ZnCl2 pH 7.0 was added to 200 ul of 0.15 M sodium malonate pH 8.0, 20% (w/v) PEG3350. |