1LZL

Bacterial Heroin Esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	95.5
Detector technology	CCD
Collection date	2002-03-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.94641
Spacegroup name	P 32 2 1
Unit cell lengths	71.431, 71.431, 105.675
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.700 - 1.300
Rwork	0.153
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lzk
RMSD bond length	0.011
RMSD bond angle	2.210 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.700	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.042	0.585
Number of reflections	76984
<I/σ(I)>	35.2	2.4
Completeness [%]	99.7	99.5
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	7.5 *	295	AMMONIUM SULFATE, SODIUM CHLORIDE, BES, pH 6.4, EVAPORATION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	1.7 (M)	pH7.5
2	1	1		0.1 (M)
3	1	1	BES	0.1 (M)	pH6.4