1GQ6

PROCLAVAMINATE AMIDINO HYDROLASE FROM STREPTOMYCES CLAVULIGERUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2001-07-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	139.859, 78.931, 93.199
Unit cell angles	90.00, 123.90, 90.00

Refinement procedure

Resolution	40.000 - 1.750
R-factor	0.142 *
Rwork	0.142
R-free	0.17000
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.540 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	REFMAC (5.0.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.760	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.067	0.265
Total number of observations	380778 *
Number of reflections	82386	11034 *
<I/σ(I)>	9.5	2.7
Completeness [%]	97.1	89.7
Redundancy	4.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	17 *	2.2 M AMMONIUM FORMATE, 200 MM HEPES PH7.5, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	drop			3-fold molar excess
3	1	reservoir	ammonium formate	2.2 (M)
4	1	reservoir	HEPES	0.2 (M)	pH7.5