3CJM

Crystal structure of putative beta-lactamase (NP_815223.1) from Enterococcus faecalis V583 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.918381, 0.979051, 0.978489
Spacegroup name	P 41 21 2
Unit cell lengths	64.975, 64.975, 140.905
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.501 - 1.500
R-factor	0.149
Rwork	0.147
R-free	0.17200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.477
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.501	29.501	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.082	0.040	0.544
Total number of observations		4336	26797
Number of reflections	48842
<I/σ(I)>	6.1	13.3	1.4
Completeness [%]	99.4	98.5	98.7
Redundancy	7.7	6.6	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	277	NANODROP, 0.2M NH4NO3, 20.0% PEG 3350, No Buffer pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K