5FQQ

Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-18
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 61
Unit cell lengths	49.338, 49.338, 199.114
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.730 - 2.120
R-factor	0.1865
Rwork	0.185
R-free	0.22080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4b88
RMSD bond length	0.008
RMSD bond angle	0.987
Data reduction software	autoPROC
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.730	2.190
High resolution limit [Å]	2.120	2.120
Rmerge	0.050	0.890
Number of reflections	15552
<I/σ(I)>	15.4	1.6
Completeness [%]	99.9	100
Redundancy	5.5	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	5		CAPILLARY COUNTER DIFFUSION: 20%PEG 8K, 0.2M MG ACETATE, 0.1M NA-CACODYLATE PH 5.0