3DL1

Crystal structure of a Putative Metal-dependent Hydrolase (YP_001336084.1) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.20 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-16
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	131.050, 131.050, 37.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.311 - 2.200
R-factor	0.172
Rwork	0.171
R-free	0.20200
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.375
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.311	29.310	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.081	0.047	0.678
Total number of observations		1220	8841
Number of reflections	17061
<I/σ(I)>	5.9	13.3	1.1
Completeness [%]	99.9	95.2	100
Redundancy	7.1	5.3	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	1.0000M (NH4)2HPO4, 0.2000M NaCl, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K