6D7I

CTX-M-14 Apoenzyme D233N Point Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 32 2 1
Unit cell lengths	41.809, 41.809, 231.951
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.562 - 2.001
R-factor	0.2016
Rwork	0.198
R-free	0.23290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ua6
RMSD bond length	0.004
RMSD bond angle	0.701
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.106	0.060	0.281
Rmeas	0.112	0.064	0.296
Rpim	0.036	0.022	0.093
Number of reflections	29916	989	798
<I/σ(I)>	8.8
Completeness [%]	99.9	98.2	100
Redundancy	9.9	8.9	10.1
CC(1/2)		0.998	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293.15	1.0 M potassium phosphate, pH 8.3