6N14

Phosphoserine BlaC, Class A serine beta-lactamase from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	49.840, 68.037, 75.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.097 - 1.522
R-factor	0.155398583746
Rwork	0.155
R-free	0.16939
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
RMSD bond length	0.003
RMSD bond angle	0.745
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.520	1.520
Rmerge	0.099
Rmeas	0.107	0.914
Rpim	0.040	0.403
Number of reflections	40045
<I/σ(I)>	17.586	1.92
Completeness [%]	99.9	98.9
Redundancy	6.8
CC(1/2)	0.992	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	277.15	0.1 M HEPES pH 7.4, 2.25 M ammonium phosphate monobasic, protein concertation 15 mg/mL