5I52

Crystal structure of TEM1 beta-lactamase mutant I263N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	59.987, 83.509, 95.784
Unit cell angles	90.00, 90.06, 90.00

Refinement procedure

Resolution	62.945 - 1.750
R-factor	0.1759
Rwork	0.174
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hvi
RMSD bond length	0.007
RMSD bond angle	1.063
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.780	95.780	1.780
High resolution limit [Å]	1.750	9.590	1.750
Rmerge	0.154	0.060	0.807
Number of reflections	93490
<I/σ(I)>	10.3
Completeness [%]	98.3	99.6	97.7
Redundancy	6.8	7.1	6.6
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.2 M sodium formate (pH 7.0), 20% (w/v) PEG 3350