3GWQ

Crystal structure of a putative d-serine deaminase (bxe_a4060) from burkholderia xenovorans lb400 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925
Spacegroup name	P 41 21 2
Unit cell lengths	113.637, 113.637, 145.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.881 - 2.000
R-factor	0.165
Rwork	0.163
R-free	0.20500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.438
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.881	29.890	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.109	0.046	0.695
Total number of observations		3444	23244
Number of reflections	64237
<I/σ(I)>	11.1	34.4	1.8
Completeness [%]	99.0	88.5	100
Redundancy	4.9	4.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.0000M NaCitrate, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K